Research   (if you don't see a menu on the left, use this link)

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Using Crystallography, and therefore bringing together Physics, Chemistry, Engineering and Robotics, we investigate the form and function of biological molecules, as well as their complexes, in order to understand the function of biological systems. The main objective of the CBE Department  is to interpret biological phenomena in terms of structural studies at the atomic, molecular and supramolecular level, and to use this knowledge to solve biomedical and biotechnological problems.


Research lines


The research of the Department is focused in the following lines:


Infectious disease and drug discovery
We are interested in the structural and functional study of proteins involved in host-pathogen interactions from pathogenic mycobacteria and fungi. To do so, we use a multi-disciplinary approach combining molecular biology, protein engineering, biophysical and structural biology techniques. Moreover, we aim at using this information for the rational design of molecules with antimicrobial activity.

Uncovering protein structure and function with XFELs
Our research group employs the state-of-the-art technology of serial femtosecond crystallography at X-ray Free Electron Lasers to study structural dynamics of biological macromolecules in "real time" to understand how they function. With this cutting-edge technique we aim to solve pressing problems of current biomedicine and biotechnology such as antibiotic resistance and cancer to ultimately develop more effective and lower cost treatments.


Regulation of protein-protein interactions with therapeutic potential in neuronal disease
Our research is focused in understanding at molecular level Ca2+ mediated protein-protein interactions (PPI) that are key in neuronal function and nervous system development. We carry out a multidisciplinary approach using strategies of Structural, Biochemical, Biophysical, Molecular and Chemical Biology to find out PPI small molecule regulators that may constitute potential therapeutic compounds in neuronal diseases.


Multicomponent formation
Methods to predict the probabilities for Active Pharmaceutical Ingredients (API) to crystallize with a coformer as a way to improve their physicochemical properties. Important to reduce drug doses and therefore side effects.


Inositide signaling
Inositol polyphosphates (IP) are pleiotropic molecules critical for metabolism and signaling. Our research is focused on the Structural Biology of proteins that act as IP targets and particularly on the IP-target association in order to understand IP regulation and target functioning. IPs wrong regulation underlie severe pathologies as cancer. Therefore an in-depth characterization at molecular level of their targets will facilitate drug development against principal diseases.

Structural Microbiology
We focus on the structural biology, combined with biophysical and bioinformatics tools, of the bacterial surface proteins involved in key functions, such as cell-wall remodeling, host-pathogen interactions, antibiotics resistance, cell division, oxidative stress resistance, or pathogenesis mechanisms. The main goal is to study the mechanisms of bacterial virulence and pathogenesis and the means of circumvent them.

Plant Structural Biology
We investigate the molecular basis of plant response to abiotic stress as we KNOW this knowledge can be used to improve crop yields. We BELIEVE that this can help alleviate the consequences of global warming and feed the growing world population.

Structural  Biotechnology
We disclose the structural and molecular basis of the catalytic mechanisms of enzymes, as a platform to design highly efficient biocatalysts with novel functionalities for biotechnology and synthetic biology. Current research focus on multidomain enzymes and multienzyme cascades to be used as catalytic nanomachines.

Gut microbial enzymes
Human microbiome exerts a profound influence on health and disease. We are investigating how gut microbial enzymes affect host biology and in particular their link to promotion or development of human disease. We believe that characterization of these relations will pave the way to new therapeutic strategies targeting microbiomes rather than the human host.




Publications

 
2022

Regulation of Lytic Machineries by the FtsEX Complex in the Bacterial Divisome
Martin Alcorlo; Siseth Martinez-Caballero; Rafael Molina; Juan A. Hermoso
in:  Macromolecular Protein Complexes IV. Subcellular Biochemistry, vol 99. Springer, Cham. (2022),
Eds.: Harris, J.R., Marles-Wright, J.  (doi: 10.1007/978-3-031-00793-4_9)

Structure–function insights into the fungal endo-chitinase Chit33 depict its mechanism on chitinous material
E Jiménez-Ortega, PE Kidibule, M Fernández-Lobato, J Sanz-Aparicio
International Journal of Molecular Sciences (2022) 23, 7599  (doi:
 https://doi.org/10.3390/ijms23147599)

Crystal structure of a family VIII β-lactamase fold hydrolase reveals the molecular mechanism for its broad substrate scope
I Cea-Rama, C Coscolín, J L Gonzalez-Alfonso, J Raj, M Vasiljević, F J Plou, M Ferrer, J Sanz-Aparicio
The Febs Journal (2022)  (doi: https://doi.org/10.1111/febs.16554)


Structure-Based Modulation of the Ligand Sensitivity of a Tomato Dimeric Abscisic Acid Receptor Through a Glu to Asp Mutation in the Latch Loop
Lourdes Infantes, Maria Rivera-Moreno, Miguel Daniel-Mozo, Juan Luis Benavente, Javier Ocaña-Cuesta, Alberto Coego, Jorge Lozano-Juste, Pedro L. Rodriguez, and Armando Albert
Frontiers in Plant Science (2022) 13: 884029  (doi: 10.3389/fpls.2022.884029)


Structural and biophysical properties of FopA, a major outer membrane protein of Francisella tularensis

Nagaratnam N, Martin-Garcia JM, Yang JH, Goode MR, Ketawala G, Craciunescu FM, Zook JD, Sonowal M, Williams D, Grant TD, Fromme R, Hansen DT, Fromme P
PLoS One (2022) 17(8), e0267370  (doi: 10.1371/journal.pone.0267370)

Purification, characterization, and preliminary serial crystallography diffraction advances structure determination of full-length human particulate guanylyl cyclase A receptor
Zhang S, Hansen DT, Martin-Garcia JM, Zook JD, Pan S, Craciunescu FM, Burnett JC Jr, Fromme P
Scientific Reports (2022) 12(1), 11824   (doi: 10.1038/s41598-022-15798-z)


PYL1- and PYL8-like ABA Receptors of Nicotiana benthamiana Play a Key Role in ABA Response in Seed and Vegetative Tissue
Gaston A. Pizzio, Cristian Mayordomo, Jorge Lozano-Juste, Victor Garcia-Carpintero, Marta Vazquez-Vilar, Sergio G. Nebauer, Kacper P. Kaminski, Nikolai V. Ivanov, Juan C. Estevez, Maria Rivera-Moreno, Armando Albert, Diego Orzaez and Pedro L. Rodriguez
Cells (2022) 11, 795   (doi: 10.3390/cells11050795)

Serial macromolecular crystallography at ALBA Synchrotron Light Source
J. M. Martin-Garcia, S. Botha, H. Hu, R. Jernigan, A. Castellví, S. Lisova, F. Gil, B. Calisto, I. Crespo, S. Roy-Chowdhury, A. Grieco, G. Ketawala, U. Weierstall, J. Spence, P. Fromme, N. Zatsepin, D. R. Boer and X. Carpena
Journal of Synchrotron Radiation (2022) 29  (doi:10.1107/S1600577522002508)

A structurally unique Fusobacterium nucleatum tannase provides detoxicant activity against gallotannins and pathogen resistance
Mancheño JM, Atondo E, Tomás-Cortázar J, Lavín JL, Plaza-Vinuesa L, Martín-Ruiz I, Barriales D, Palacios A, Navo CD, Sampedro L, Peña-Cearra A, Pascual-Itoiz MA, Castelo J,
Carreras-González A, Castellana D, Pellón A, Delgado S, Ruas-Madiedo P, de las Rivas B, Abecia L, Muñoz R, Jiménez-Osés G, Anguita J y Rodríguez H
Microbial Biotechnology (2022) 15, 648-667  (doi: 10.1111/1751-7915.13732)

Co-flow injection for serial crystallography at X-ray free-electron lasers
D. Doppler, M. T. Rabbani, R. Letrun, J. Cruz Villarreal, D. H. Kim, S. Gandhi, A. Egatz-Gomez, M. Sonker, J. Chen, F. H. M. Koua, J. Yang, M. Youssef, V. Mazalova, S. Bajt, M. L. Shelby, M. A. Coleman, M. O. Wiedorn, J. Knoska, S. Schön, T. Sato, M. S. Hunter, A. Hosseinizadeh, C. Kuptiz, R. Nazari, R. C. Alvarez, K. Karpos, S. Zaare, Z. Dobson, E. Discianno, S. Zhang, J. D. Zook, J. Bielecki, R. de Wijn, A. R. Round, P. Vagovic, M. Kloos, M. Vakili, G. K. Ketawala, N. E. Stander, T. L. Olson, K. Morin, J. Mondal, J. Nguyen, J. D. Meza-Aguilar, G. Kodis, S. Vaiana, J. M. Martin-Garcia, V. Mariani, P. Schwander, M. Schmidt, M. Messerschmidt, A. Ourmazd, N. Zatsepin, U. Weierstall, B. D. Bruce, A. P. Mancuso, T. Grant, A. Barty, H. N. Chapman, M. Frank, R. Fromme, J. C. H. Spence, S. Botha, P. Fromme, R. A. Kirian and A. Ros
Journal of Applied Crystallography (2022) 55  (doi: org/10.1107/S1600576721011079)




2021

The bone-degrading enzyme machinery: from multi-component understanding to the treatment of residues from the meat industry
L Fernandez-Lopez, S Sanchez-Carrillo, A García-Moyano, E Borchert, D Almendral, S Alonso, I Cea-Rama, N Miguez, Ø Larsen, J Wernere, KS Makarova, FJ Plou, TG Dahlgren, J Sanz-Aparicio, U. Hentschelc, G E Kjæreng and M Ferrer
Computational and Structural Biotechnology Journal (2021) 19, 6328-6342  (doi: 10.1016/j.csbj.2021.11.027)

Structural bases of life and evolution of macromolecular complexity

Valpuesta J.M., Ramón-Maiques S., Carazo J.M., González C., Hermoso J.A., Moreno-Herrero F., San Martín C.
In: Origins, (Co)Evolution, Diversity and Synthesis of Life; P. Bovolenta (2021)
, Ed. CSIC, ISBN: 978-84-00-10737-6

Identification of the first structurally validated covalent ligands of the small GTPase RAB27A
M. Jamshidiha, T. Layon-Hogg, C.L. Sutherell, G.B. Craven, M. Tersa, E. De Vita, D. Brustur, I. Pérez-Dorado, S. Hassan, R. Petracca, R.M. Morgan, M. Sanz-Hermández, J.C. Norman, Al. Armstrong, D.J. Mann, E. Cota, and E.W. Tate
RSC Medical Chemistry (2021)  (doi: 10.1039/D1MD00225B)

Benzimidazole derivatives as new and selective inhibitors of arginase from Leishmania mexicana with biological activity against promastigotes and amastigotes
Betancourt-Conde I., Avitia-Domínguez  C., Hernández-Campos A., Castillo R., Yépez-Mulia L., Oria-Hernández J., Méndez S.T., Sierra-Campos E., Valdez-Solana M., Martínez-Caballero S., Hermoso J.A., Romo-Mancillas A. and Téllez-Valencia  A.
International Journal of Molecular Sciences (2021) 22, 13613  (doi: 10.3390/ijms222413613)

Co-flow injection for serial crystallography at X-ray free-electron lasers
D. Doppler, M. T. Rabbani, R. Letrun, J. Cruz Villarreal, D. H. Kim, S. Gandhi, A. Egatz-Gomez, M. Sonker, J. Chen, F. H. M. Koua, J. Yang, M. Youssef, V. Mazalova, S. Bajt, M. L. Shelby, M. A. Coleman, M. O. Wiedorn, J. Knoska, S. Schön, T. Sato, M. S. Hunter, A. Hosseinizadeh, C. Kuptiz, R. Nazari, R. C. Alvarez, K. Karpos, S. Zaare, Z. Dobson, E. Discianno, S. Zhang, J. D. Zook, J. Bielecki, R. de Wijn, A. R. Round, P. Vagovic, M. Kloos, M. Vakili, G. K. Ketawala, N. E. Stander, T. L. Olson, K. Morin, J. Mondal, J. Nguyen, J. D. Meza-Aguilar, G. Kodis, S. Vaiana, J. M. Martin-Garcia, V. Mariani, P. Schwander, M. Schmidt, M. Messerschmidt, A. Ourmazd, N. Zatsepin, U. Weierstall, B. D. Bruce, A. P. Mancuso, T. Grant, A. Barty, H. N. Chapman, M. Frank, R. Fromme, J. C. H. Spence, S. Botha, P. Fromme, R. A. Kirian and A. Ros
J. Appl. Cryst. (2022) 55  (doi: 10.1107/S1600576721011079)

Structural inspection and protein motions modelling of a fungal glycoside hydrolase family 18 chitinase by crystallography depicts dynamic enzymatic mechanism
E Jiménez-Ortega, PE Kidibule, M Fernández-Lobato, J Sanz-Aparicio
Computational and Structural Biotechnology Journal (2021) 19, 5466-5478  (doi: 10.1016/j.csbj.2021.09.027)

First Lanthanide Complex for De Novo Phasing in Native Protein Crystallography at 1 Å Radiation

Prieto-Castañeda, A., Martínez-Caballero, S., Agarrabeitia, A., García-Moreno, I., de la Moya, S., Ortiz, M. and Hermoso J.A.
ACS Applied Biomaterials (2021) 4, 4575-4581  (doi: 10.1021/acsabm.1c00305)

Teaching an old dog new tricks: Repurposing β-lactams

Miguel-Ruano, V. and Hermoso J.A.
Trends in Pharmacological Sciences (2021) 42, 617-619  (doi: 10.1016/j.tips.2021.06.003)

Biochemical and structural studies of two tetrameric nucleoside 2'-deoxyribosyltransferases from psychrophilic and mesophilic bacteria: Insights into cold-adaptation
Fernández-Lucas J, Acebrón I, Wu RY, Alfaro Y, Acosta J, Kaminski PA, Arroyo M, Joachimiak A, Nocek BP, De la Mata I, Mancheño JM
International Journal of Biological Macromolecules (2021) 192, 138-150  (doi: 10.1016/j.ijbiomac.2021.09.164)


Integrative Structural Biology of the Penicillin-Binding Protein-1 from Staphylococcus aureus, an Essential Component of the Divisome Machinery

Martínez-Caballero S., Mahasenan K.V., Kim C.; Molina R., Feltzer R., Lee M.; Bouley R., Hesek D., Fisher J.F., Muñoz I.G., Chang M.; Mobashery S. and Hermoso J.A.
Computational and Structural Biotechnology Journal (2021) 19, 5392-5405  (doi: 10.1016/j.csbj.2021.09.018)


Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography
Suraj Pandey, George Calvey, Andrea M. Katz, Tek Narsingh Malla, Faisal H. M. Koua, Jose M. Martin-Garcia, Ishwor Poudyal, Jay-How Yang, Mohammad Vakili, Oleksandr Yefanov, Kara A. Zielinski, Sasa Bajt, Salah Awel, Katarina Doerner, Matthias Frank, Luca Gelisio, Rebecca Jernigan, Henry Kirkwood, Marco Kloos, Jayanath Koliyadu, Valerio Mariani, Mitchell D. Miller, Grant Mills, Garrett Nelson, Jose L. Olmos Jr, Alireza Sadri, Tokushi Sato, Alexandra Tolstikova, Weijun Xu, Abbas Ourmazd, John C. H. Spence, Peter Schwander, Anton Barty, Henry N. Chapman, Petra Fromme, Adrian P. Mancuso, George N. Phillips Jr, Richard Bean, Lois Pollack and Marius Schmidt
IUCrJ (2021) 8(6), published on line (doi: 10.1107/S2052252521008125)

Synaptotagmins at the endoplasmic reticulum-plasma membrane contact sites maintain diacylglycerol homeostasis during abiotic stress
Ruiz-Lopez N, Pérez-Sancho J, Del Valle AE, Haslam RP, Vanneste S, Catalá R, Perea-Resa C, Damme DV, García-Hernández S, Albert A, Vallarino J, Lin J, Friml J, Macho AP, Salinas J, Rosado A, Napier JA, Amorim-Silva V, Botella MA.
Plant Cell (2021) 33, 2431-2453   (doi: 10.1093/plcell/koab122)

It takes two to tango: Unraveling a new post-translational modification involved in SnRK2.6 activation
Miguel Daniel-Mozo, Armando Albert
Molecular Plant (2021) 14, 1–3   (doi: 10.1016/j.molp.2021.08.003)


The structure and flexibility analysis of the Arabidopsis synaptotagmin 1 reveal the basis of its regulation at membrane contact sites
Juan L Benavente,  Dritan Siliqi,  Lourdes Infantes,  Laura Lagartera,  Alberto Mills,  Federico Gago,  Noemí Ruiz-López,  Miguel A Botella,  María J Sánchez-Barrena,  Armando Albert
Life Science Alliance (2021) 4(10), published on line 18 August  (doi: 10.26508/lsa.202101152)

Synaptotagmins at the endoplasmic reticulum-plasma membrane contact sites maintain diacylglycerol homeostasis during abiotic stress
Ruiz-Lopez N, Pérez-Sancho J, Esteban Del Valle A, Haslam RP, Vanneste S, Catalá R, Perea-Resa C, Van Damme D, García-Hernández S, Albert A, Vallarino J, Lin J, Friml J, Macho AP, Salinas J, Rosado A, Napier JA, Amorim-Silva V, Botella MA.
Plant Cell (2021) 33, 2431–2453  (doi: 10.1093/plcell/koab122) 

Pharmacological Approaches for the Modulation of the Potassium Channel KV4.x and KChIPs
Cercós P, Peraza DA, Benito-Bueno A, Socuéllamos PG, Aziz-Nignan A, Arrechaga-Estévez D, Beato E, Peña-Acevedo E, Albert A, González-Vera JA, Rodríguez Y, Martín-Martínez M, Valenzuela C, Gutiérrez-Rodríguez M.
International Journal of Molecular Sciences (2021) 22, 1419  (doi: 10.3390/ijms22031419) 


Protein Dynamics and Time Resolved Protein Crystallography at Synchrotron Radiation Sources: Past, Present and Future.
Martin-Garcia, J.M.
Crystals (2021) 11, 521  (doi: 10.3390/cryst11050521


Enzymatic Synthesis of Phloretin α‐Glucosides Using a Sucrose Phosphorylase Mutant and its Effect on Solubility, Antioxidant Properties and Skin Absorption
J L Gonzalez‐Alfonso, Z Ubiparip, E Jimenez‐Ortega, A Poveda, C Alonso, L Coderch, J Jimenez‐Barbero, J Sanz‐Aparicio, A O Ballesteros, T Desmet, F J Plou
Advanced Synthesis & Catalysis (2021) 363, 3079-3089  (doi: 10.1002/adsc.202100201)

Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping
María Ángeles Márquez-Moñino, Raquel Ortega-García, Megan L. Shipton, Elsa Franco-Echevarría, Andrew M. Riley, Julia Sanz-Aparicio, Barry V.L. Potter and Beatriz González
Science Advances (2021) 7, abf6744  (doi: 10.1126/sciadv.abf6744)

Phylogenetic, functional and structural characterization of a GH10 xylanase active at extreme conditions of temperature and alkalinity
D Talens-Perales, E Jiménez-Ortega, P Sánchez-Torres, J Sanz-Aparicio, J Polaina
Computational and Structural Biotechnology Journal (2021) 19, 2676-2686  (doi: 10.1016/j.csbj.2021.05.004)

Drug resistance in infectious diseases
Gamarro F., Garcillán M.P., Rivas L., Espinosa M., Khiar N., Hermoso J.A., Garcia T., Martínez, J.L., Boto A, Galla T., Blázquez J. Gonzalez de la Campa A.
in Challenges in Biomedicine and Health (2021), M. Delgado Ed. CSIC, pp. 64-88 . ISBN: 978-84-00-10744-4


New insights into the molecular mechanism behind mannitol and erythritol fructosylation by β-fructofuranosidase from Schwanniomyces occidentalis
D Rodrigo-Frutos, M Ramirez-Escudero, D Piedrabuena, E Jiménez-Ortega, N Miguez, FJ Plou, J Sanz-Aparicio, M Fernández-Lobato
Scientific Reports (2021) 11, article number 7158  (doi: 10.1038/s41598-021-86568-6)

Structure and evolutionary trace-assisted screening of a residue swapping the substrate ambiguity and chiral specificity in an esterase
I Cea-Rama, C Coscolín, P Katsonis, R Bargiela, N Golyshin, O Lichtarge, M Ferrer, J Sanz-Aparicio
Computational and Structural Biotechnology Journal (2021) 19, 2307-2317  (doi: 10.1016/j.csbj.2021.04.041)

Biochemical and Structural Characterization of a Novel Thermophilic esterase EstD11 provides catalytic insights for HSL family

Miguel-Ruano V., Rivera I., Rajkovic J., Knapik K., Torrado A., Otero J.M., Beneventi E., Becerra M., Sánchez-Costa M., Hidalgo A., Berenguer J., Gonzalez-Siso M.I., Cruces J., Rúa  M.L., and Hermoso J.A.
Computational and Structural Biotechnology Journal (2021) 19, 1214-1232  
(doi: 10.1016/j.csbj.2021.01.047)

Binding of non-canonical peptidoglycan controls Vibrio cholerae broad spectrum racemase activity
Espaillat, A., Carrasco-López, C., Bernardo-García, N., Rojas-Altuve, A., Klett, J., Morreale, A., Hermoso  J.A., and Cava  F.
Computational and Structural Biotechnology Journal (2021) 19, 1119-1126  
(doi: 10.1016/j.csbj.2021.01.031

Unconventional Antibacterials and Adjuvants

Chang, M., Mahasenan, K. V.; Hermoso, J. A.; Mobashery, S.
Accounts of Chemical Research (2021) 54, 917–929  (doi: 10.1021/acs.accounts.0c00776)


Identification of ABA Receptor Agonists Using a Multiplexed High-Throughput Chemical Screening
Jorge Lozano-Juste, Irene García-Maquilón, José Brea, Rocío Piña, Armando Albert, Pedro L. Rodriguez, María Isabel Loza
in Plant Chemical Genomics. Methods in Molecular Biology (2021) vol. 2213, Hicks G.R., Zhang C. (eds). Humana, New York, NY   (doi: 10.1007/978-1-0716-0954-5_9)


Crystal structure and pathophysiological role of the pneumococcal nucleoside-binding protein PnrA
Mohammed R.  Abdullah, María T. Batuecas, Franziska Jennert, Franziska Voß, Philipp Westhoff, Thomas P. Kohler, Rafael Molina, Stephanie Hirschmann, Michael Lalk, Juan A. Hermoso, Sven Hammerschmidt
Journal of Molecular Biology (2021) 433, 166723  (doi:10.1016/j.jmb.2020.11.022)


Structural cues for understanding eEF1A2 moonlighting
Alejandra A. Carriles; Alberto Mills; Maria-Jose Muñoz-Alonso; Juan M. Dominguez; Dolores Gutiérrez; Juan A. Hermoso and Federico Gago
Chembiochem (2021) 22, 374 –391  (doi: 10.1002/cbic.202000516)



 
2020


Genetically engineered proteins with two active sites for enhanced biocatalysis and synergistic chemo- and biocatalysis.
S Alonso, G Santiago, I Cea-Rama, L Fernández-López, Coscolín, J Modregger, AK Ressmann, M Martínez-Martínez, H Marrero, R Bargiela, M Pita, JL Gonzalez-Alfonso, ML Briand, D Rojo, C Barbas, FJ Plou, P N. Golyshin, P Shahgaldian, J Sanz-Aparicio, V Guallar, and M Ferrer
Nature Catalysis (2020) 3, 319–328  (
doi:10.1038/s41929-019-0394-4)

Tuning the Properties of Natural Promiscuous Enzymes by Engineering Their Nanoenvironment
Carolina I. Giunta, Isabel Cea-Rama, Sandra Alonso, Manon L. Briand, Rafael Bargiela, Cristina Coscolín, Philippe F.-X. Corvini, Manuel Ferrer, Julia Sanz-Aparicio, and Patrick Shahgaldian
ACS Nano (2020) 14, 17652–17664    (doi: 10.1021/acsnano.0c08716)

Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity
E Jiménez-Ortega, S Valenzuela, M Ramírez-Escudero, FJ Pastor and J Sanz-Aparicio
The Febs Journal (2020)  
287, 5362–5374    (doi: 10.1111/febs.15332)

Structural characterization of the essential cell division protein FtsE and its interaction with FtsX in Streptococcus pneumoniae
Alcorlo, M.; Straume, D.; Lutkenhaus, J.; Håvarstein, L.S. and Hermoso, J.A.
mBio (2020) 11, e01488-20  (doi:
10.1128/mBio.01488-20)

SEQUENCE SLIDER: expanding poly-alanine fragments for phasing with multiple side chain hypotheses
R. Junqueira Borges, K. Meindl, M. Sammito, A. Medina, C. Millán, M. Alcorlo, J. A. Hermoso, M. R. de Mattos Fontes, I. Usón
Acta Crystallographica D (2020) D76, 221-237  (doi:
10.1107/S2059798320000339)

Class A PBPs have a distinct and unique role in the construction of the pneumococcal cell wall
Daniel Straume, Katarzyna Wiaroslawa Piechowiak, Silje Olsen, Gro Anita Stamsås, Kari Helene Berg, Morten Kjos, Maria Victoria Heggenhougen, Martín Alcorlo, Juan A. Hermoso, and Leiv Sigve Håvarstein
Proceedings of the National Academy of Sciences, PNAS (2020) 117, 6129-6138  (doi:/10.1073/pnas.1917820117) 

Recognition and activation of the plant AKT1 potassium channel by the kinase CIPK23
Maria Jose Sanchez-Barrena, Antonio Chaves-Sanjuan, Natalia Raddatz, Imelda Mendoza, Alvaro Cortes, Federico Gago, Juana Maria Gonzalez-Rubio, Juan Luis Benavente, Francisco J. Quintero, Jose M. Pardo, Armando Albert
Plant Physiology (2020) 182, 2143–2153  (
doi:10.1104/pp.19.01084)

Catalytic Cycle of Glycoside Hydrolase BglX from Pseudomonas aeruginosa and Its Implication in Biofilm Formation

Mahasenan, K.; Batuecas, M.; De Benedetti, S.; Kim, C.; Rana, N.; Lee, M.; Hesek, D.; Fisher, J.; Sanz-Aparicio, J.; Hermoso, J. A.; Mobashery, S.
ACS Chemical Biology (2020) 15, 189-196  (doi:10.1021/acschembio.9b00754)


The cryo-EM structure of Thermotoga maritima β-galactosidase: quaternary structure guides protein engineering.
Míguez-Amil S, Jiménez-Ortega E, Ramírez-Escudero M, Talens-Perales D, Marín-Navarro J, Polaina J, Sanz-Aparicio J, Fernández-Leiro R
ACS Chemical Biology (2020) 15, 179-188  (doi:10.1021/acschembio.9b00752)



   
2019


Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division
Martín Alcorlo, David A. Dik, Stefania De Benedetti, Kiran V. Mahasenan, Mijoon Lee, Teresa Domínguez-Gil, Dusan Hesek, Elena Lastochkin, Daniel López, Bill Boggess, Shahriar Mobashery & Juan A. Hermoso
Nature Communications (2019) 10, Article number: 5567  (doi:10.1038/s41467-019-13354-4)

Deciphering the molecular specificity of phenolic compounds as inhibitors or glycosyl acceptors of β-fructofuranosidase from Xanthophyllomyces dendrorhous
Mercedes Ramirez-Escudero, Noa Miguez, Maria Gimeno-Perez, Antonio O. Ballesteros, Maria  Fernandez-Lobato, Francisco J. Plou and Julia Sanz-Aparicio
Scientific Reports (2019) 9:17441  (doi:10.1038/s41598-019-53948-y)

Disulfide Engineered Lipase to Enhance the Catalytic Activity: A Structure-Based Approach on BTL2
C.A. Godoy, J. Klett, B. Di Geronimo, J. A. Hermoso, J. M. Guisán, C. Carrasco-López
International Journal of Molecular Sciences (2019) 20, 5245  (doi:10.3390/ijms20215245)

PYR/PYL/RCAR ABA receptors
Pedro L. Rodriguez, Jorge Lozano-Juste, Armando Albert
Advances in Botanical Research (2019) 92, 51-82  (doi:10.1016/bs.abr.2019.05.003)


Structural basis of the inhibition of GH1 β-glucosidases by multivalent pyrrolidine iminosugars
M Martínez-Bailén, E Jiménez-Ortega, AT Carmona, I Robina, J Sanz-Aparicio, D Talens-Perales, J Polaina, C Matassini, F Cardona and A J Moreno-Vargas
Bioorganic Chemistry (2019) 89, 103026-103036  (doi:10.1016/j.bioorg.2019.103026)

Insights into real-time chemical processes in a calcium sensor protein-directed dynamic library
Andrea Canal-Martín, Javier Sastre, María José Sánchez-Barrena, Angeles Canales, Sara Baldominos, Naiara Pascual, Loreto Martínez-González, Dolores Molero, Mª Encarnación Fernández-Valle, Elena Sáez, Patricia Blanco-Gabella, Elena Gómez-Rubio, Sonsoles Martín-Santamaría, Almudena Sáiz, Alicia Mansilla, F. Javier Cañada, Jesús Jiménez-Barbero, Ana Martínez & Ruth Pérez-Fernández
Nature Communications (2019) 10, Article number: 2798 
(doi:10.1038/s41467-019-10627-w)

The structure of full-length human phenylalanine hydroxylase in complex with tetrahydrobiopterin

Marte Innselset Flydal, Martin Alcorlo, Fredrik Gullaksen Johannessen, Siseth Martinez-Caballero, Lars Skjærven, Rafael Fernandez-Leiro, Aurora Martinez, Juan A. Hermoso
Proceedings of the National Academy of Sciences, PNAS (2019) 116, 11229-11234  (doi:10.1073/pnas.1902639116)

Pyrrolopyrimidine vs Imidazole-Phenyl-Thiazole Scaffolds in Nonpeptidic Dimerization Inhibitors of Leishmania infantumTrypanothione Reductase
A. Revuelto, M. Ruiz-Santaquiteria, H. de Lucio, A. Gamo, A. A. Carriles, K. Jesús Gutiérrez, P. A. Sánchez-Murcia, J. A. Hermoso, F. Gago, M.-J. Camarasa, A. Jiménez-Ruiz, and S. Velázquez
ACS Infectious Diseases (2019) 5, 873-891  (doi:10.1021/acsinfecdis.8b00355)

Macromolecular Machineries in Cell-wall Recycling
Batuecas, María T and Hermoso, Juan A
In eLS (2019). John Wiley & Sons, Ltd: Chichester (doi:10.1002/9780470015902.a0028397)

Cold-induced aldimine bond cleavage by Tris in Bacillus subtilis alanine racemase
Noelia Bernardo-García, Pedro Alejandro Sánchez-Murcia, Akbar Espaillat, Carol Siseth Martínez-Caballero, Felipe Cava, Juan Hermoso and Federico Gago          
Organic & Biomolecular Chemistry (2019) 17, 4350-4358  (doi:10.1039/C9OB00223E)

The quinazolinone allosteric inhibitor of PBP2a synergizes with piperacillin and tazobactam against methicillin-resistant Staphylococcus aureus
Janardhanan, J.; Bouley, R.; Martínez-Caballero, S.; Peng, Z.; Batuecas-Mordillo, M.; Meisel, J. E.; Ding, D.; Schroeder, V. A.; Wolter, W. R.; Mahasenan, K. V.; Hermoso, J. A.; Mobashery, S.; Chang, M.
Antimicrob. Agents Chemother. (2019) 63, e02637-18  (doi:10.1128/AAC.02637-18)

Structure of the large extracellular loop of FtsX and its interaction with the essential peptidoglycan hydrolase PcsB in Streptococcus pneumoniae

Britta E. Rued, Martín Alcorlo, Katherine A. Edmonds, Siseth Martínez-Caballero, Daniel Straume, Yue Fu, Kevin E. Bruce, Hongwei Wu, Leiv Sigve Håvarstein, Juan A. Hermoso, Malcolm E. Winkler and David P. Giedroc
mBio (2019) 10, e02622-18  (doi:10.1128/mBio.02622-18)

Rayos X: hallazgo y consecuencias de una luz prodigiosa
Martín Martínez-Ripoll
CIENCIA, y un gran paso para la humanidad!!! (2019)  (link to the chapter)



2018

Characterization of an atypical, thermostable, organic solvent- and acid-tolerant 2'-deoxyribosyltransferase from Chroococcidiopsis thermalis
Del Arco J, Sánchez-Murcia PA, Mancheño JM, Gago F, Fernández-Lucas J
Applied Microbiology and Biotechnology (2018) 102, 6947-6957  (doi: 10.1007/s00253-018-9134-y)

Identification of a highly active tannase enzyme from the oral pathogen Fusobacterium nucleatum subsp. Polymorphum
Tomás-Cortázar J, Plaza-Vinuesa L, de Las Rivas B, Lavín JL, Barriales D, Abecia L, Mancheño JM, Aransay AM, Muñoz R, Anguita J, Rodríguez H
Microbial Cell Factory (2018) 17, 33  (doi: 10.1186/s12934-018-0880-4)

2'-Deoxyribosyltransferase from Bacillus psychrosaccharolyticus: A Mesophilic-Like Biocatalyst for the Synthesis of Modified Nucleosides from a Psychrotolerant Bacterium
Fresco-Taboada A, Fernández-Lucas J, Acebal C, Arroyo M, Ramón F, de la Mata I, Mancheño JM
Catalysts (2018) 8, 8  (doi: 10.3390/catal8010008)


Enzymatic Synthesis of Therapeutic Nucleosides using a Highly Versatile Purine Nucleoside 2 '-DeoxyribosylTransferase from Trypanosoma brucei
Pérez E, Sánchez-Murcia P, Jordaan J, Blanco MD, Mancheño JM, Gago F, Fernández-Lucas J.
Chemcatchem (2018) 10, 4406-416  (doi:10.1002/cctc.201800775)

Characterization of an atypical, thermostable, organic solvent- and acid-tolerant 2'-deoxyribosyltransferase from Chroococcidiopsis thermalis
Del Arco J, Sánchez-Murcia PA, Mancheño JM, Gago F, Fernández-Lucas J.
Applied Microbiology and Biotechnology (2018) 102, 6947-6957  (doi:10.1007/s00253-018-9134-y)

Identification of a highly active tannase enzyme from the oral pathogen Fusobacterium nucleatum subsp. Polymorphum
Tomás-Cortázar J, Plaza-Vinuesa L, de Las Rivas B, Lavín JL, Barriales D, Abecia L, Mancheño JM, Aransay AM, Muñoz R, Anguita J, Rodríguez H.
Microbial Cell Factories (2018) 17:33  (doi:10.1186/s12934-018-0880-4)

2'-Deoxyribosyltransferase from Bacillus psychrosaccharolyticus: A Mesophilic-Like Biocatalyst for the Synthesis of Modified Nucleosides from a Psychrotolerant Bacterium
Fresco-Taboada A, Fernández-Lucas J, Acebal C, Arroyo M, Ramón F, de la Mata I, Mancheño JM.
Catalysts (2018) 8, 8  (doi:10.3390/catal8010008)

Yeast cultures expressing the Ffase from Schwanniomyces occidentalis, a simple system to produce the potential prebiotic sugar 6-kestose
D. Rodrigo-Frutos,  D. Piedrabuena, J. Sanz-Aparicio, M. Fernández-Lobato
Applied Microbiology and Biotechnology (2018) 103, 279–289  (doi:10.1007/s00253-018-9446-y)

Structural Insights into the Substrate Promiscuity of a Laboratory-Evolved Peroxygenase
Mercedes Ramirez-Escudero, Patricia Molina-Espeja, Patricia Gomez de Santos, Martin Hofrichter, Julia Sanz-Aparicio and Miguel Alcalde
ACS Chemical Biology (2018) 13, 3259–3268  (doi:10.1021/acschembio.8b00500)

A Structural Dissection of the Active Site of the Lytic Transglycosylase MltE from Escherichia coli
David A. Dik, María T. Batuecas, Mijoon Lee, Kiran V. Mahasenan, Daniel R. Marous, Elena Lastochkin, Jed F. Fisher, Juan A. Hermoso, and Shahriar Mobashery
Biochemistry (2018) 57, 6090−6098  (doi:10.1021/acs.biochem.8b00800)

Fructosylation of hydroxytyrosol by the β-fructofuranosidase from Xanthophyllomyces dendrorhous: Insights into the molecular basis of the enzyme specificity
Miguez M, Ramírez-Escudero M, Gimeno-Pérez M, Poveda A, Jiménez-Barbero J,  Ballesteros AO, Fernández-Lobato M, Sanz-Aparicio J, and Plou FJ
ChemCatChem (2018) 10, 4878–4887  (doi:10.1002/cctc.201801171)

Deciphering the inhibition of the neuronal calcium sensor 1 and the guanine exchange factor Ric8a with a small phenothiazine molecule for the rational generation of therapeutic synapse function regulators
Roca C, Martínez-González L, Daniel-Mozo M, Sastre J, Infantes L, Mansilla A, Chaves-Sanjuán A, González-Rubio JM, Gil C, Cañada J,  Martínez A, Sánchez-Barrena MJ and Campillo NE
Journal of Medicinal Chemistry (2018)  Article ASAP  (doi:10.1021/acs.jmedchem.8b00088)

Use of chitin and chitosan to produce new chitooligosaccharides by chitinase Chit42: enzymatic activity and structural basis of protein specificity
PE Kidibule, P Santos Moriano, E Jiménez Ortega, M Ramírez Escudero, MC Limón, M Remacha, FJ Plou, J Sanz Aparicio and M Fernández Lobato
Microbial Cell Factories (2018) 17:47  (doi:10.1186/s12934-018-0895-x)

Exploiting distant homologs for phasing through generation of compact fragments, local fold refinement and partial solution combination
Millán, C.; Sammito, M.D.; McCoy, A.J.; Nascimento, A.F.Z.; Petrillo, G.; Oeffner, R.D.; Domínguez-Gil, T.; Hermoso, J.A.; Read, R.J; and Usón, I.
Acta Crystallographica D (2018) D74, 290-304  (doi:10.1107/S2059798318001365)

Exolytic and Endolytic Turnover of Peptidoglycan by Lytic Transglycosylase Slt of Pseudomonas aeruginosa
Lee, M., Batuecas, M.T., Tomoshige, S., Domínguez-Gil, T., Mahasenan, K.V., Dik, D.A., Hesek, D., Millán, C., Usón, I., Lastochkin, E., Hermoso, J.A., Mobashery, S.
Proceedings of the National Academy of Sciences, PNAS
 (2018) 115, 4393-4398  (doi:10.1073/pnas.1801298115)

Structural Biology of Salt and Drought Tolerance in Plants
Sánchez-Barrena, María J; Martinez-Ripoll, Martín; and Albert, Armando
In eLS (2018). John Wiley & Sons, Ltd: Chichester  (doi: 10.1002/9780470015902.a0027628)

Mechanism of the Escherichia coli MltE lytic transglycosylase, the cell-wall-penetrating enzyme for Type VI secretion system assembly
Byungjin Byun, Kiran V. Mahasenan, David A. Dik, Daniel R. Marous, Enrico Speri, Malika Kumarasiri, Jed F. Fisher, Juan A. Hermoso and Shahriar Mobashery
Scientific Reports (2018) 8, Article number 4110  (doi:10.1038/s41598-018-22527-y)

Noncatalytic aspartate at the exonuclease domain of proofreading DNA polymerases regulates both degradative and synthetic activities
Del Prado A, Franco-Echevarría E, González B, Blanco L, Salas M, de Vega M.
Proceedings of the National Academy of Sciences, PNAS (2018) 115, E2921-E2929  (doi:10.1073/pnas.1718787115)

Structural insights into the binding and catalytic mechanisms of the Listeria monocytogenes bacteriophage glycosyl hydrolase PlyP40
Romero, P.; Bartual, S.G.; Schmelcher, M.; Glück, C.; Hermoso, J.A. and Loessner, M.J.
Molecular Microbiology (2018) 108, 128-142  (doi:10.1111/mmi.13922)

Allostery, Recognition of Nascent Peptidoglycan and Crosslinking of the Cell Wall by the Essential Penicillin-Binding Protein 2x of Streptococcus pneumoniae

Bernardo-Garcia, N.; Mahasenan, K.; Batuecas, M.T.; Lee, M.; Hesek, D.; Petrácková, D.; Doubravová, L.; Branny, P.; Mobashery, S.; Hermoso, J.A.
ACS Chemical Biology (2018) 13, 694–702
  (doi:10.1021/acschembio.7b00817)

CIENCIA, y yo quiero ser... Cristalógrafo!!!
Martín Martínez-Ripoll
CIENCIA, y yo quiero ser científico!!! (2018)  (link to the chapter)

Three-dimensional structures of Lipoproteins from Streptococcus pneumoniae and Staphylococcus aureus
Bartual, S.G; Alcorlo, M.; Martínez-Caballero, S.; Molina, R. and Hermoso, J.A.
International Journal of Medical Microbiology (2018) 308, 692-704  (doi:10.1016/j.ijmm.2017.10.003)




2017

The structure of transcription termination factor Nrd1 reveals an original mode for GUAA recognition
Franco-Echevarría E, González-Polo N, Zorrilla S, Martínez-Lumbreras S, Santiveri CM, Campos-Olivas R, Sánchez M, Calvo O, González B & Pérez-Cañadillas JM
Nucleic Acids Research (2017) 45, 10293-10305  (doi:10.1093/nar/gkx685)

The crystal structure of mammalian inositol 1,3,4,5,6-pentakisphosphate 2-kinase reveals a new zinc-binding site and key features for protein function
Franco-Echevarría E, Sanz-Aparicio J, Brearley CA,  González-Rubio JM, González B.
Journal of Biological Chemistry (2017) 292, 10534-10548
 (doi:10.1074/jbc.M117.780395)

Crystallization and Preliminary X-Ray Diffraction Analysis of a Mammal Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase
Franco-Echevarría E, Sanz-Aparicio J, Troffer-Charlier N, Poterszman A, González B
Protein Journal (2017) 36, 240  (doi:10.1007/s10930-017-9717-y)

Deciphering how Cpl-7 cell wall-binding repeats recognize the bacterial peptidoglycan
N. Bustamante, M. Iglesias-Bexiga, N. Bernardo-García, N. Silva-Martín, G. García, M. A. Campanero-Rhodes, E. García, I. Usón, R. M. Buey, P. García, J. A. Hermoso, M. Bruix, M. Menéndez
Scientific Reports (2017) 7, Article number 16494  (doi:10.1038/s41598-017-16392-4)

X-ray Structure of Catenated Lytic Transglycosylase SltB1
Teresa Domínguez-Gil, Rafael Molina, David A. Dik, Edward Spink, Shahriar Mobashery, and Juan A. Hermoso
Biochemistry (2017) 56, 6317-6320  (doi:10.1021/acs.biochem.7b00932)


The structure of ligand-bound intermediates of crop ABA receptors highlights the role of the PP2C as necessary ABA co-receptor
Moreno-Alvero M, Yunta C, Gonzalez-Guzman M, Lozano-Juste J, Benavente JL, Arbona V, Menéndez M, Martinez-Ripoll M, Infantes L, Gomez-Cadenas A, Rodriguez PL, Albert A
Molecular Plant (2017) 10, 1250–1253  (doi:10.1016/j.molp.2017.07.004)

Structural basis of the substrate specificity and instability in solution of a glycosidase from Lactobacillus plantarum
Acebrón I, Plaza-Vinuesa L, de Las Rivas B, Muñoz R, Cumella J, Sánchez-Sancho F, Mancheño JM
Biochimica et Biophysica Acta (2017) 1865, 1227-1236  (doi:10.1016/j.bbapap.2017.07.007)

2'-Deoxyribosyltransferase from Leishmania mexicana, an efficient biocatalyst for one-pot, one-step synthesis of nucleosides from poorly soluble purine bases
Crespo, N., Sánchez-Murcia, P.A., Gago, F., Cejudo-Sanches, J., Galmes, M.A., Fernández-Lucas, J., Mancheño, J.M.
Applied Microbiology and Biotechnology (2017) 101, 7187–7200  (doi:10.1007/s00253-017-8450-y)

A single amino acid polymorphism in the glycosyltransferase CpsK defines four Streptococcus suis serotypes
D. Roy, T. Athey, J.-P. Auger, G. Goyette-Desjardins, M.-R. Van Calsteren, D. Takamatsu, M. Okura, S. Teatero, M. Alcorlo, J.A. Hermoso, M. Segura, M. Gottschalk, and N. Fittipaldi
Scientific Reports (2017) 7, Article number 4066  (doi:10.1038/s41598-017-04403-3)

40 Años de Cristalografía en el Rocasolano
Martín Martínez Ripoll
100cias@uned, Facultad de Ciencias, nº 10 (2017)  (link to the article) [PDF-copy]


Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa
Acebron, I.; Mahasenan, K.; De Benedetti, S.; Lee, M.; Artola-Recolons, C.; Hesek, D.; Wang, H.; Hermoso, J. A.; Mobashery, S.
Journal of the American Chemical Society (2017) 139, 6795-6798  (doi:10.1021/jacs.7b01626)


Structural features of Aspergillus niger β-galactosidase define its activity against glycoside linkages
Rico-Díaz, A., Ramírez-Escudero, M., Vizoso-Vázquez, A., Cerdán, M.E., Becerra, M. and Sanz-Aparicio, J.
The FEBS Journal (2017) 284, 1815–1829  (doi:10.1111/febs.14083)


Conformational dynamics in penicillin-binding protein 2a of methicillin-resistant Staphylococcus aureus, allosteric communication network and enablement of catalysis

Mahasenan, K.; Molina, R.; Bouley, R.; Batuecas, M.; Fisher, J.; Hermoso, J.A.; Chang, M. and Mobashery, S.
Journal of the American Chemical Society (2017) 139, 2102-2110  (doi:10.1021/jacs.6b12565)

Interference of the complex between NCS-1 and Ric8a with phenothiazines regulates synaptic function and is an approach for fragile X syndrome
Alicia Mansilla, Antonio Chaves-Sanjuan, Nuria E. Campillo, Ourania Semelidou, Loreto Martínez-González, Lourdes Infantes, Juana María González-Rubio, Carmen Gil, Santiago Conde, Efthimio M. C. Skoulaki, Alberto Ferrús, Ana Martínez, María José Sánchez-Barrena
Proceedings of the National Academy of Sciences, PNAS (2017) 114, E999–E1008  (doi:10.1073/pnas.1611089114)

Muropeptide Binding and the X-Ray Structure of the Effector Domain of the Transcriptional Regulator AmpR of Pseudomonas aeruginosa
Dik, D. A., Domínguez-Gil, T., Lee, M., Hesek, D., Byun, B., Fishovitz, J., Boggess, B., Hellman, L. M., Fisher, J. F., Hermoso, J. A., Mobashery, S.
Journal of the American Chemical Society (2017)
139, 1448–1451  (doi:10.1021/jacs.6b12819)

Carbohydrate recognition and lysis by bacterial peptidoglycan hydrolases
Martin Alcorlo, Siseth Martinez-Caballero, Rafael Molina and Juan A Hermoso
Current Opinion in Structural Biology (2017) 44, 87–100  (doi:10.1016/j.sbi.2017.01.001)



2016

Modular Architecture and Unique Teichoic Acid Recognition Features of Choline-Binding Protein L (CbpL) Contributing to Pneumococcal Pathogenesis
J. Gutiérrez-Fernández, M. Saleh, M. Alcorlo, A. Gómez M., D. Pantoja-Uceda, M. A. Treviño, F. Voß, M. R. Abdullah, S. Galán-Bartual, J. Seinen,  P. A. Sánchez-Murcia, F. Gago, M. Bruix, S. Hammerschmidt and J. A. Hermoso
Scientific Reports (2016) 6, Article Number 38094  (doi:10.1038/srep38094)

Oriented Attachment of Recombinant Proteins to Agarose-Coated Magnetic Nanoparticles by Means of a β-Trefoil Lectin Domain
Iván Acebrón,Amalia G. Ruiz-Estrada, Yurena Luengo, María del Puerto Morales,José Manuel Guisán, and José Miguel Mancheño
Bioconjugate Chemistry (2016) 27, 2734−2743  (doi:10.1021/acs.bioconjchem.6b00504)

Átomos y moléculas de cristal
Martín Martinez-Ripoll
conCIENCIAS.digital (2016) 18, 24-35  (link to the issue)  [PDF-copy]

Structural bioinformatics in broad-spectrum racemases: a new path in antimicrobial research
Noelia Bernardo-García, Pedro Sánchez-Murcia, Federico Gago, Felipe Cava and Juan A. Hermoso
Current Organic Chemistry (2016) 20, 1222-1231  (doi:10.2174/1385272819666150810213115)

Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa

T. Domínguez-Gil, M. Lee, I. Acebrón-Avalos, K. V. Mahasenan, D. Hesek, D. A. Dik, B. Byun, E. Lastochkin, J. F. Fisher, S. Mobashery and J. A. Hermoso
Structure (2016) 24, 1729-1741  (doi:10.1016/j.str.2016.07.019)

Structural and functional characterization of a ruminal β-glycosidase defines a novel subfamily of glycosyl hydrolase family 3 with permuted domain topology
Mercedes Ramírez-Escudero, Mercedes V. del Pozo, Julia Marín-Navarro, Beatriz González, Peter N. Golyshin, Julio Polaina, Manuel Ferrer and Julia Sanz-Aparicio
Journal of Biological Chemistry (2016) 291, 24200-24214  (doi:10.1074/jbc.M116.747527)

The glycoside hydrolase family 8 reducing-end xylose-releasing exo-oligoxylanase Rex8a from Paenibacillus barcinonensis BP-23 is active on branched xylooligosaccharides

Susana Valenzuela, Sergi López, S., Peter Biely, Julia Sanz-Aparicio, F. Javier Pastor
Applied and Environmental Microbiology (2016) 82, 5116-5124  (doi:10.1128/AEM.01329-16)

Molecular characterization and heterologous expression of a Xanthophyllomyces dendrorhous α-glucosidase with potential for prebiotics production
Patricia Gutiérrez-Alonso, María Gimeno-Pérez, Mercedes Ramírez-Escudero, Francisco J. Plou, Julia Sanz-Aparicio, María Fernández-Lobato
Applied Microbiology and Biotechnology (2016) 100, 3125-3135  (doi: 10.1007/s00253-015-7171-3)

Renew or Die: The molecular mechanisms of peptidoglycan recycling and antibiotic resistance in Gram-negative pathogens
T. Domínguez-Gil, R. Molina, M. Alcorlo and J. A. Hermoso
Drug Resistance Updates (2016) 28, 91-104  (doi:10.1016/j.drup.2016.07.002)
 
Orthologous and paralogous AmpD Peptidoglycan Amidases from Gram-Negative Bacteria
Ivanna Rivera, Rafael Molina, Mijoon Lee, Shariar Mobashery and Juan A. Hermoso
Microbial Drug Resistance (2016) 22, 470-476, Great Wall 2015 Article  (doi:10.1089/mdr.2016.0083)


Turnover of Bacterial Cell Wall by SltB3, a Multidomain Lytic Transglycosylase of Pseudomonas aeruginosa
Lee, M.; Domínguez-Gil, T.; Hesek, D.; Mahasenan, K. V.; Lastochkin, E.; Hermoso, J. A.; Mobashery, S.
ACS Chemical Biology (2016) 11, 1525-1531  (doi:10.1021/acschembio.6b00194)

The structures of two scorpionates: Thallium tetrakis(3-phenyl-1H-pyrazol-1-yl)borate and potassium tetrakis(3-cyclopropyl-1H-pyrazol-1-yl)borate
Infantes, L.; Claramunt, R.M.; Sanz, D.; Alkorta, I.; Elguero, J.
Acta Crystallographica (2016) C72, 819-825 (doi:10.1107/S2053229616007385)

Structural insights into the synthesis of FMN in prokaryotic organisms
Beatriz Herguedas,  Isaías Lans,  Juan A.  Hermoso,  Marta Martínez-Júlvez and  M. Medina
Acta Crystallographica (2016) D71, 2526-2542  (doi:10.1107/S1399004715019641)

Two-Photon Fluorescence Anisotropy Imaging to Elucidate the Dynamics and the Stability of Immobilized Proteins
Orrego AH,  García C, Manchen~o JM, Guisa´n JM, Lillo MP, López-Gallego F
Journal of Physical Chemistry B (2016) 120, 485-491  (doi:10.1021/acs.jpcb.5b12385)

Structural analysis of 
β-fructofuranosidase from Xanthophyllomyces dendrorhous reveals unique features and the crucial role of N-glycosylation in oligomerization and activity
M Ramírez-Escudero, M Gimeno-Pérez, B González, D Linde, Z Merzdo, M Fernández-Lobato, J Sanz-Aparicio
Journal of Biological Chemistry (2016) 291, 6843-6857  (doi:10.1074/jbc.M115.708495)

Calcium-dependent oligomerization of CAR proteins at cell membrane modulates ABA signaling
Maira Diaza, Maria Jose Sanchez-Barrena, Juana Maria Gonzalez-Rubio, Lesia Rodriguez, Daniel Fernandez, Regina Antoni, Cristina Yunta, Borja Belda-Palazon, Miguel Gonzalez-Guzman, Marta Peirats-Llobet, Margarita Menendez, Jasminka Boskovic, Jose A. Marquez, Pedro L. Rodriguez, and Armando Albert
Proceedings of the National Academy of Sciences, PNAS (2016) 113, E396-E405 (doi: 10.1073/pnas.1512779113)



2015

Synthesis of Enantiopure 3-Hydroxypiperidines from Sulfinyl Dienyl Amines by Diastereoselective Intramolecular Cyclization and [2,3]-Sigmatropic Rearrangement
Simal, C.; Bates, R.H.; Urena, M.; Giménez, I.; Koutsou, C.; Fernández De La Pradilla, R.; Viso, A.; Infantes, L.
Journal of Organic Chemistry (2015) 80, 7674-7692  (doi:10.1021/acs.joc.5b01307)

Prediction of H-bonding motifs for pyrazoles and oximes using the Cambridge structural database
Infantes, L.; Motherwell, S.
in Science of Crystal Structures: Highlights in Crystallography (2015) 269-280, Springer International Publishing (doi:10.1007/978-3-319-19827-9_28)


Structural insights into the synthesis of FMN in prokaryotic organisms
Beatriz Herguedas,  Isaías Lans,  Juan A.  Hermoso,  Marta Martínez-Júlvez and  M. Medina
Acta Crystallographica (2015) D71, 2526-2542  (doi:10.1107/S1399004715019641)

Molecular characterization and heterologous expression of a Xanthophyllomyces dendrorhous α-glucosidase with potential for prebiotics production

Patricia Gutiérrez-Alonso, María Gimeno-Pérez, Mercedes Ramírez-Escudero, Francisco J. Plou, Julia Sanz-Aparicio, María Fernández-Lobato
Applied Microbiology and Biotechnology (2015) 100, 3125-3135  (doi: 10.1007/s00253-015-7171-3)

Celebrating 100 years of modern crystallography
Mancheño, J.M. (coord)
Arbor (2015) 191 (772): a223  (doi: 10.3989/arbor.2015.i772)

Presentation
Mancheño, J.M.
in Celebrating 100 years of modern crystallography. (Mancheño, J.M., coord.), Arbor (2015) 191 (772): a223  [PDF-copy]

Personal perspectives
Mancheño, J.M.
in Celebrating 100 years of modern crystallography. (Mancheño, J.M., coord.), Arbor (2015) 191 (772): a223  [PDF-copy]

The legacy of women to crystallography
Sanz-Aparicio, J.
in Celebrating 100 years of modern crystallography. (Mancheño, J.M., coord.), Arbor (2015) 191 (772): a223  [PDF-copy]

The new InsP3Kinase inhibitor BIP4 is competitive to InsP3 and blocks proliferation and adhesion of lung cancer cells
Schröder D, Tödter K, Franco-Echevarría, E, Gonzalez  B, Rohaly G and Sabine Windhorst
Biochemical Pharmacology (2015) 96, 143-150  (doi: 10.1016/j.bcp.2015.05.004)

Enantioselective oxidation of galactitol 1-phosphate by galactitol-1-phosphate 5-dehydrogenase from Escherichia coli
Rocío Benavente, María Esteban-Torres, Gert-Wieland Kohring, Álvaro Cortés-Cabrera, Pedro A. Sánchez-Murcia, Federico Gago, Iván Acebrón, Blanca de las Rivas, Rosario Muñoz and José M. Mancheño
Acta Crystallographica (2015) D71, 1540-1554   (doi: 10.1107/S1399004715009281)

Exploring multimodularity in plant cell wall deconstruction: structural and functional analysis of Xyn10C containing the CBM22-1-CBM22-2 tandem
M. Angela Sainz-Polo, Beatriz González, Margarita Menéndez, F.I. Javier Pastor and Julia Sanz-Aparicio
Journal of Biological Chemistry (2015) 290, 17116-17130  
(doi:10.1074/jbc.M115.659300)

Structure and functions of choline binding proteins
Galán-Bartual S., Pérez-Dorado I., García P. and Hermoso J.A.
In Streptococcus Pneumoniae Molecular Mechanisms of Host-Pathogen Interactions (2015), Chap. 11, pp. 207-230. Jeremy Brown, Sven Hammerschmidt and Carlos Orihuela Eds., Elsevier. ISBN: 978-0-12-410530-0

Synthesis of a heterogeneous artificial metallolipase with chimeric catalytic activity
M. Filice, O. Romero, J. Gutiérrez-Fernández, B. de las Rivas, J. A. Hermoso and J. M. Palomo
Chemical Communications (2015) 51, 9324-9327  (doi:10.1039/C5CC02450A)

The Allosteric Site for the Nascent Cell Wall in Penicillin-Binding Protein 2a: an Achilles’ Heel of Methicillin-Resistant Staphylococcus aureus
Ivan Acebrón, Mayland Chang, Shahriar Mobashery and Juan A. Hermoso
Current Medicinal Chemistry (2015) 22, 1678-1686  (doi:10.2174/0929867322666150311150215)

The bacteriocin AS-48 requires dimer dissociation followed by hydrophobic interactions with the membrane for antibacterial activity.
Cebrián R, Martínez-Bueno M, Valdivia E, Albert A, Maqueda M, Sánchez-Barrena MJ.
Journal of  Structural Biology (2015) 190, 162–172  (doi:10.1016/j.jsb.2015.03.006)
 
Molecular recognition of PTS-1 cargo proteins by Pex5p: implications for protein mistargeting in primary hyperoxaluria
Mesa-Torres N, Tomic N, Albert A, Salido E, Pey AL.
Biomolecules (2015) 5, 121-141  (doi:10.3390/biom5010121)
 
Discovery of Antibiotic (E)-3-(3-Carboxyphenyl)-2-(4-cyanostyryl)quinazolin-4(3H)-one
Renee Bouley, Malika Kumarasiri, Zhihong Peng, Lisandro H.Otero, Wei Song, Mark A.Suckow, Valerie A.Schroeder, William R.Wolter, Elena Lastochkin, Nuno T.Antunes, Hualiang Pi, Sergei Vakulenko, Juan A.Hermoso, Mayland Chang, and Shahriar Mobashery
Journal of the American Chemical Society (2015) 137, 1738−1741  (doi:10.1021/jacs.5b00056)

Experimental and Theoretical Studies on the Rearrangement of 2-Oxoazepane α,α-Amino Acids into 2’-Oxopiperidine β2,3,3-AminoAcids: An Example of Intramolecular Catalysis
Núñez-Villanueva, D.; Bonache, M. A.; Lozano, L.; Infantes, L.; Elguero, J.; Alkorta, I.; García-López, M.T.; González-Muñiz, R.; Martín-Martínez, M.
Chemistry - A European Journal (2015) 21, 2489-2500  (doi:10.1002/chem.201405640)

The Reaction of 2-Amino-4H-pyrans with N-Bromosuccinimide.
Samadi, A.; Silva, D.; Chioua, M.; Infantes, L.; Soriano, E.; Marco-Contelles, J.
Molecular Diversity (2015) 19, 103-122  (doi:10.1007/s11030-014-9560-4)



2014

Silver Triflate-Catalyzed Cyclization of 2-Amino-6-propargyl-amineazines Leading to Iminoimidazoazines
Chioua, M.; Samadi, A.; Soriano, E.; Infantes, L.; Marco-Contelles, J.
Advanced Synthesis and Catalysis (2014) 356, 1235-1241  (doi:10.1002/adsc.201300799)

Characterization of a cold-active esterase from Lactobacillus plantarum suitable for food fermentations
Esteban-Torres, M.; Mancheño, J.M.; de las Rivas, B.; Muñoz, R.
Journal of Agricultural and Food Chemistry (2014) 62, 5126-5132  (doi:10.1021/jf501493z)

Characterization of a versatile arylesterase from Lactobacillus plantarum active on wine esters
Esteban-Torres, M.; Barcenilla, J.M.; Mancheño, J.M.; de las Rivas, B.; Muñoz, R.
Journal of Agricultural and Food Chemistry (2014) 62, 5118-5125  (doi:10.1021/jf500991m)

Production and characterization of a tributyrin esterase from Lactobacillus plantarum suitable for cheese lipolysis
Esteban-Torres, M.; Mancheño. J.M.; de las Rivas, B.; Muñoz, R.
Journal of Dairy Science (2014) 97, 6737-6744  (doi:10.3168/jds.2014-8234) 


A new calmodulin binding motif for inositol 1,4,5-trisphosphate 3-kinase regulation
Franco-Echevarria, E., Baños-Sanz, J.I., Monterroso, B., Round A, Sanz-Aparicio, J., González, B.
Biochemical Journal (2014) 463, 319-328  (doi:10.1042/BJ20140757)

C2-Domain Abscisic Acid-Related Proteins Mediate the Interaction of PYR/PYL/RCAR Abscisic Acid Receptors with the Plasma Membrane and Regulate Abscisic Acid Sensitivity in Arabidopsis
Lesia Rodriguez, Miguel Gonzalez-Guzman, Maira Diaz, Americo Rodrigues, Ana C. Izquierdo-Garcia, Marta Peirats-Llobet, Maria A. Fernandez, Regina Antoni, Daniel Fernandez, Jose A. Marquez, Jose M. Mulet, Armando Albert, and Pedro L. Rodriguez
The Plant Cell (2014) 26, 4802-4820  (doi:10.1105/tpc.114.129973)


Structural Basis for Selective Recognition of Endogenous and Microbial Polysaccharides by Macrophage Receptor SIGN-R1
Noella Silva-Martín, Sergio G. Bartual, Erney Ramírez-Aportela, Pablo Chacón, Chae Gyu Park and Juan A. Hermoso
Structure (2014) 22, 1595-1606  (doi:10.1016/j.str.2014.09.001)


Structural basis of the regulatory mechanism of the plant CIPK family of protein kinases controlling ion homeostasis and abiotic stress
Antonio Chaves-Sanjuan, Maria Jose Sanchez-Barrena, Juana Maria Gonzalez-Rubio, Maria Moreno, Paula Ragel, Marta Jimenez, Jose M. Pardo, Martin Martinez-Ripoll, Francisco J. Quintero, and Armando Albert
Proceedings of the National Academy of Sciences, PNAS (2014) 111, 4532-4541  (doi:10.1073/pnas.1407610111)

Structural analysis of glucuronoxylan specific Xyn30D and its attached CBM35 domain give insights into the role of modularity in specificity
Sainz-Polo, M.A.Valenzuela, S., González-Pérez, B., Pastor, F.J., Sanz-Aparicio, J.
Journal of Biological Chemistry (2014) 289,  31088-31101  (doi: 10.1074/jbc.M114.597732)


Crystallization and preliminary X-ray diffraction data of β-galactosidase from Aspergillus niger
Rico-Díaz, A., Vizoso-Vázquez, A-, Cerdán, M.A., Becerra, M., Sanz-Aparicio, J.
Acta Crystallographica (2014) F70, 1529-1531  (doi:10.1107/S2053230X14019815)


Crystallization and preliminary X-ray diffraction analysis of Xyn30D from Paenibacillus barcinonensis
Sainz-Polo, M.A.Valenzuela, S., Pastor, F.J., Sanz-Aparicio, J.
Acta Crystallographica (2014) 963-966  (doi:10.1107/S2053230X14012035)


The guanine-exchange factor Ric8a binds the calcium sensor NCS-1 to regulate synapse number and probability of release
Jesús Romero-Pozuelo, Jeffrey S. Dason, Alicia Mansilla, Soledad Baños-Mateos, José L. Sardina, Antonio Chaves-Sanjuán, Jaime Jurado-Gómez, Elena Santana, Harold L. Atwood, Ángel Hernández-Hernández, María-José Sánchez-Barrena and Alberto Ferrús
Journal of Cell Science (2014) 127, 4246-4259  (doi:10.1242/ ?jcs.152603)


Crystal structures of Ophiostoma piceae sterol esterase: Activation mechanism and product release
Javier Gutiérrez-Fernández; María Eugenia Vaquero; Alicia Prieto; Jorge Barriuso; María Jesús Martínez and  Juan A. Hermoso
Journal of Structural Biology (2014) 187, 215-222  (doi:10.1016/j.jsb.2014.07.007)

Structure of the pneumococcal L,D-carboxypeptidase DacB and pathophysiological effects of disabled cell wall hydrolases DacA and DacB
Mohammed R. Abdullah, Javier Gutiérrez-Fernández, Thomas Pribyl, Nicolas Gisch, Malek Saleh, Manfred Rohde, Lothar Petruschka, Gerhard Burchhardt, Dominik Schwudke, Juan A. Hermoso and Sven Hammerschmidt
Molecular Microbiology (2014) 93, 1183–1206  (doi:10.1111/mmi.12729)

Comparative study of two GH19 chitinase-like proteins from Hevea brasiliensis, one exhibiting a novel carbohydrate-binding domain
Martínez-Caballero, Siseth; Cano-Sánchez, Patricia; Mares-Mejía, Israel; Díaz-Sánchez, Angel; Macías-Rubalcava, Martha; Hermoso, Juan; Rodríguez-Romero, Adela
FEBS Journal (2014) 281, 4535–4554  (doi:10.1111/febs.12962)


The consensus-based approach for gene/enzyme replacement therapies and crystallization strategies: the case of human alanine:glyoxylate aminotransferase
Mesa-Torres N, Yunta C, Fabelo-Rosa I, Gonzalez-Rubio JM, Sanchez-Ruiz JM, Salido E, Albert A, Pey AL
Biochemical Journal (2014) 462, 453-463  (doi:10.1042/BJ20140250)

Penicillin-binding Protein 2a of Methicillin-resistant Staphylococcus aureus
Jennifer Fishovitz, Juan A Hermoso, Mayland Chang, and Shahriar Mobashery
International Union of Biochemistry and Molecular Biology Journal (IUBMB Life) (2014) 66, 572-577  (doi:10.1002/iub.1289)


Structure and Cell Wall Cleavage by Modular Lytic Transglycosylase MltC of Escherichia coli
C. Artola-Recolons; M. Lee; N. Bernardo-García; B. Blázquez; D. Hesek; S. Bartual; K.V. Mahasenan; E. Lastochkin; H. Pi; K. Meindl; W. Boggess; I. Uson; J.F. Fisher; S. Mobashery and J.A. Hermoso
ACS Chemical Biology (2014) 9, 2058–2066  (doi:10.1021/cb500439c)

Disruption of Allosteric Response as an Unprecedented Mechanism of Resistance to Antibiotics
Jennifer Fishovitz, Alzoray Rojas-Altuve, Lisandro H Otero, Matthew Dawley, Cesar Carrasco-López, Mayland Chang, Juan A Hermoso and Shahriar Mobashery
Journal of the American Chemical Society (2014) 136, 9814–9817  (doi:10.1021/ja5030657)


Structure solution with ARCIMBOLDO using fragments derived from distant homology models
Sammito, Massimo; Meindl, Kathrin; de Ilarduya, Iñaki; Millán, Claudia; Artola-Recolons, Cecilia; Hermoso, Juan and Usón, Isabel
FEBS Journal (2014) 281, 4029–4045  (doi:10.1111/febs.12897)
 
Structural insights into the coenzyme mediated monomer-dimer transition of the pro-apoptotic Apoptosis Inducing Factor

Ferreira, Patricia; Villanueva, Raquel; Martínez-Júlvez, Marta; Herguedas, Beatriz; Marcuello, Carlos; Fernandez-Silva, Patricio; Cabon, Lauriane; Hermoso, Juan; Lostao, Anabel; Susin, Santos; Medina, Milagros
Biochemistry (2014) 53, 4204–4215  (doi:10.1021/bi500343r)

El CSIC cumple 75 años
Martín Martínez-Ripoll, J. M. López Sancho, Esteban Moreno Gómez
Revista Española de Física (2014) 28, 25-27 (web-link)  [PDF copy]

Aportaciones de la cristalografía a la medicina. De la comprensión de las armas moleculares de los patógenos al desarrollo de fármacos contra enfermedades infecciosas
Juan A. Hermoso
Investigación y Ciencia (2014) 454, 11-14  [PDF copy]


Escherichia coli LacZ
β-galactosidase inhibition by monohydroxyacetylated glycopyranosides: Role of the acetyl groups
Jana Brabcova, Cesar Carrasco-Lopez, Teodora Bavaro, Juan A. Hermoso, Jose M. Palomo
Journal of Molecular Catalysis B: Enzymatic (2014) 107, 31-38  (doi:10.1016/j.molcatb.2014.05.008)

Tomato PYR/PYL/RCAR abscisic acid receptors show high expression in root, differential sensitivity to the abscisic acid agonist quinabactin, and the capability to enhance plant drought resistance
Gonzalez-Guzman M, Rodriguez L, Lorenzo-Orts L, Pons C, Sarrion-Perdigones A, Fernandez MA, Peirats-Llobet M, Forment J, Moreno-Alvero M, Cutler SR, Albert A, Granell A, Rodriguez PL
Journal of  Experimental Botany (2014) 65, 4451-4464   (doi:10.1093/jxb/eru219)

A complement to the modern crystallographer’s toolbox: caged gadolinium complexes with versatile binding modes
Meike Stelter, Rafael Molina, Sandra Jeudy, Richard Kahn, Chantal Abergele and Juan A. Hermoso
Acta Crystallographica (2014) D70, 1506–1516  (doi:10.1107/S1399004714005483)

Structural basis of PcsB-mediated cell separation in Streptococcus pneumoniae
Sergio G. Bartual, Daniel Straume, Gro Anita Stamsås, Inés G. Muñoz, Carlos Alfonso, Martín Martínez-Ripoll, Leiv Sigve Håvarstein and Juan A. Hermoso
Nature Communications (2014) 5, Article number 3842 (
doi:10.1038/ncomms4842)

Peptidoglycan Remodeling by the Coordinated Action of Multispecific Enzymes
Laura Alvarez, Akbar Espaillat, Juan A. Hermoso, Miguel A. de Pedro, and Felipe Cava
Microbial Drug Resistance (2014) 20, 1-9   (doi:10.1089/mdr.2014.0047)

Frq2 from Drosophila melanogaster: cloning, expression, purification, crystallization and preliminary X-ray analysis
Baños-Mateos S, Chaves-Sanjuán A, Mansilla A, Ferrús A, Sánchez-Barrena MJ
Acta Crystallographica (2014) F70, 530-534   (doi:10.1107/S2053230X14005408)

Preliminary crystallographic analysis of the ankyrin-repeat domain of Arabidopsis thaliana AKT1: identification of the domain boundaries for protein crystallization
Chaves-Sanjuán A, Sánchez-Barrena MJ, González-Rubio JM, Albert A.
Acta Crystallographica (2014) F70, 509-512   (doi:10.1107/S2053230X14005093)

A través del cristal. Cómo la cristalografía ha cambiado la visión del mundo
Martín Martínez-Ripoll, Juan A. Hermoso y Armando Albert (coord.)
Editorial CSIC-Catarata (2014) ISBN: 978-84-00-09800-1.

Una historia con claroscuros plagada de laureados Nobel
Martín Martínez-Ripoll
in A través del cristal. Cómo la cristalografía ha cambiado la visión del mundo (2014). (M. Martínez-Ripoll, J.A. Hermoso y Armando Albert
, coord.), CSIC-Catarata, pp. 15-41, ISBN: 978-84-00-09800-1.

Una ventana hacia las enfermedades infecciosas
Noelia Bernardo-García y Juan A. Hermoso
in A través del cristal. Cómo la cristalografía ha cambiado la visión del mundo (2014). (M. Martínez-Ripoll, J.A. Hermoso y Armando Albert, coord.), CSIC-Catarata, pp. 99-118,  ISBN: 978-84-00-09800-1.

El arma secreta de la biotecnología
Julia Sanz Aparicio
in A través del cristal. Cómo la cristalografía ha cambiado la visión del mundo (2014). (M. Martínez-Ripoll, J.A. Hermoso y Armando Albert, coord.), CSIC-Catarata, pp. 155-170,  ISBN: 978-84-00-09800-1.

Comunicación celular a escala atómica
"> Armando Albert
in A través del cristal. Cómo la cristalografía ha cambiado la visión del mundo (2014). (M. Martínez-Ripoll, J.A. Hermoso y Armando Albert, coord.), CSIC-Catarata, pp. 171-182, ISBN: 978-84-00-09800-1.

A través del cristal y más allá
Martín Martínez-Ripoll, Juan A. Hermoso y Armando Albert
in A través del cristal. Cómo la cristalografía ha cambiado la visión del mundo (2014). (M. Martínez-Ripoll, J.A. Hermoso y Armando Albert, coord.), CSIC-Catarata, pp. 183-188,  ISBN: 978-84-00-09800-1.

Esterase LpEst1 from Lactobacillus plantarum: A Novel and Atypical Member of the αβ Hydrolase Superfamily of Enzymes
Yanaisis Alvarez, María Esteban-Torres, Álvaro Cortés-Cabrera, Federico Gago, Iván Acebrón, Rocío Benavente, Karin Mardo, Blanca de las Rivas, Rosario Muñoz, José M. Mancheño
PLoS ONE (2014) 9: e92257   (doi:10.1371/journal.pone.0092257)

Pneumococcal phosphoglycerate kinase interacts with plasminogen and its tissue activator
M. Fulde, N. Bernardo-García, M. Rohde, N. Nachtigall, R. Frank, K.T. Preissner, J. Klett, A. Morreale, G.S. Chhatwal, J.A. Hermoso, S. Bergmann
Thrombosis and Haemostasis (2014) 111, 401-416  (doi:10.1160/TH13-05-0421)

A single mutation in the GSTe2 gene allows tracking of metabolically based insecticide resistance in a major malaria vector
Riveron JM, Yunta C, Ibrahim SS, Djouaka R, Irving H, Menze BD, Ismail HM, Hemingway J, H. Ranson, A. Albert  and C.S. Wondji
Genome Biology (2014) 15, R27  (doi:10.1186/gb-2014-15-2-r27)

Getting CAD in Shape: The Atomic Structure of Human Dihydroorotase Domain
Hermoso J.A.
Structure (2014) 22, 179-181  (doi:10.1016/j.str.2014.01.005)

La ONU declara 2014 Año Internacional de la Cristalografía
Martín Martínez-Ripoll
mi+d (2014) published in Análisis Madri+d on 28 Jan. 2014   [PDF-copy]

Crystal structures of CbpF complexed with atropine and ipratropium reveal clues for the design of novel antimicrobials against Streptococcus pneumoniae
Noella Silva-Martín, Gracia Retamosa; Beatriz Maestro; Sergio G Bartual, María J Rodes; Pedro García, Jesús M Sanz, Juan A. Hermoso
Biochimica et Biophysica Acta - General Subjects (2014) 1840, 129-135  (doi:10.1016/j.bbagen.2013.09.006)

The C-terminal extension of bacterial flavodoxin-reductases: involvement in the hydride transfer mechanism from the coenzyme
Ana Bortolotti, Ana Sánchez-Azqueta, Celia M Maya, Adrián Velázquez, Juan A Hermoso, Milagros Medina, Néstor Cortez
Biochimica et Biophysica Acta - Bioenergetics (2014) 1837, 33-43  (doi:10.1016/j.bbabio.2013.08.008)

Structural bases for the broad specificity of a new family of amino acid racemases
Akbar  Espaillat, Cesar  Carrasco-López, Noelia Bernardo-García, Natalia Pietrosemolli, Lisandro H. Otero, Laura Alvarez, Miguel A. de Pedro, Florencio Pazos, Brigid M. Davis, Matthew K. Waldor, Juan A.  Hermoso and Felipe Cava
Acta Crystallographica (2014) D70, 79-90  (doi:10.1107/S1399004713024838)




2013

Molecular architecture of Streptococcus pneumoniae surface thioredoxin-fold lipoproteins crucial for extracellular oxidative stress resistance and maintenance of virulence
Malek Saleh, Sergio G. Bartual, Mohammed R. Abdullah, Inga Jensch, Tauseef M. Asmat, Lothar Petruschka, Thomas Pribyl, Juan A. Hermoso and Sven Hammerschmidt
EMBO Molecular Medicine (2013) 5, 1852-1870  (doi:10.1002/emmm.201202435)

The role of protein denaturation energetics and molecular chaperones in the aggregation and mistargeting of mutants causing primary hyperoxaluria type I
Mesa-Torres, N., Fabelo-Rosa, I., Riverol, D., Yunta, C., Albert, A., Salido, E., Pey, A.L.
PLoS ONE (2013) 8, e71963  (doi:10.1371/journal.pone.0071963)

Evolutionary Adaptation of the Fly Pygo PHD Finger toward Recognizing Histone H3 Tail Methylated at Arginine 2
Thomas C.R. Miller, Juliusz Mieszczanek, María José Sánchez-Barrena, Trevor J. Rutherford, Marc Fiedlersend, Mariann Bienz
Structure (2013) 21, 2208–2220  (doi:10.1016/j.str.2013.09.013)

Characterization of a feruloyl esterase from Lactobacillus plantarum.
Esteban-Torres M, Reverón I, Mancheño JM, de Las Rivas B, Muñoz R.
Applied and Environmental Microbiology (2013) 79, 5130-5136  (doi:10.1128/AEM.01523-13)

Identification of a missing link in the evolution of an enzyme into a transcriptional regulator.
Durante-Rodríguez G, Mancheño JM, Rivas G, Alfonso C, García JL, Díaz E, Carmona M.
PLoS ONE (2013) 8, e57518  (doi:10.1371/journal.pone.0057518)


The PYL4 A194T mutant uncovers a key role of PYR1-LIKE4/PROTEIN PHOSPHATASE 2CA interaction for abscisic acid signaling and plant drought resistance
Pizzio, G.A., Rodriguez, L., Antoni, R., González-Guzman, M., Yunta, C., Merilo, E., Kollist, H., Albert, A., Rodriguez, P.L.
Plant Physiology (2013) 163, 441-55 (doi: 10.1104/pp.113.224162)


Structure, biochemical characterization and analysis of the pleomorphism of carboxylesterase Cest-2923 from Lactobacillus plantarum WCFS1
Benavente, R; Esteban-Torres, M; Acebrón, I; de Las Rivas, B; Muñoz, R; Alvarez, Y; Mancheño, JM.
The FEBS Journal (2013) 280, 6658-6671 (doi:10.1111/febs.12569)


How allosteric control of Staphylococcus aureus penicillin binding protein 2a enables methicillin resistance and physiological function

Lisandro H. Otero, Alzoray Rojas-Altuve, Leticia I. Llarrull, Cesar Carrasco-López, Malika Kumarasiri, Elena Lastochkin, Jennifer Fishovitz, Matthew Dawley, Dusan Hesek, Mijoon Lee, Jarrod W. Johnson, Jed F. Fisher, Mayland Chang, Shahriar Mobashery, Juan A. Hermoso
Proceedings of the National Academy of Sciences (2013) 110, 16808-16813  (doi:10.1073/pnas.1300118110)

Cell-Wall Remodeling by the Zinc-Protease AmpDh3 from Pseudomonas aeruginosa
Lee, M., Artola-Recolons, C., Carrasco-López, C., Martínez-Caballero, S., Hesek, D., Spink, E., Lastochkin, E., Zhang, W., Hellman, L., Boggess, B., Hermoso, J. and Mobashery, S.
Journal of the American Chemical Society (2013) 135, 12604-12607  (doi:10.1021/ja407445x)

Protein homeostasis defects of alanine-glyoxylate aminotransferase: new therapeutic strategies in primary hyperoxaluria type I
Pey, A.L., Albert, A., Salido, E.
Biomed Research International (2013) 2013:687658   (doi:10.1155/2013/687658)

Reaction products and the X-ray structure of AmpDh2, a virulence determinant of Pseudomonas aeruginosa

Siseth Martínez-Caballero, Mijoon Lee, Cecilia Artola-Recolons, César Carrasco-López, Dusan Hesek, Edward Spink, Elena Lastochkin, Weilie Zhang, Lance M. Hellman, Bill Boggess, Shahriar Mobashery and Juan A. Hermoso
Journal of the American Chemical Society (2013) 135, 10318−10321  (doi:10.1021/ja405464b)


¿Cómo aprendimos a "ver" los átomos?
Martín Martínez-Ripoll
in Serie El CSIC en la Escuela, Investigación sobre la enseñanza de la ciencia en el aula (2013), Number 9, pp. 9-34, e-ISBN (n.º 9): 978-84-00-09659-5  [PDF-copy]

Crystal structure and functional insights into uracil-DNA glycosylase inhibition by phage ?29 DNA mimic protein p56

José Ignacio Baños-Sanz, Laura Mojardín, Julia Sanz-Aparicio, José M. Lázaro, Laurentino Villar, Gemma Serrano-Heras, Beatriz González, and Margarita Salas
Nucleic Acids Research (2013) 
41,  6761-6773   (doi:10.1093/nar/gkt395)

Heteroresistance to Fosfomycin Is Predominant in Streptococcus pneumoniae and Depends on the murA1 Gene
Hansjürg Engel, Javier Gutiérrez-Fernández, Christine Flückiger, Martín Martínez-Ripoll, Kathrin Mühlemann, Juan A. Hermoso, Markus Hilty and Lucy J. Hathaway
Antimicrobial Agents and Chemotherapy (2013) 57, 2801-2808  (doi:10.1128/AAC.00223-13)


Structural Biology of a Major Signaling Network that Regulates Plant Abiotic Stress: The CBL-CIPK Mediated Pathway
María José Sánchez-Barrena, Martín Martínez-Ripoll and Armando Albert
International Journal of Molecular Sciences (2013) 14, 5734-5749  (doi:10.3390/ijms14035734)

Synthesis of 6-Kestose using an Efficient β-Fructofuranosidase Engineered by Directed Evolution
Miguel de Abreu, Miguel Alvaro-Benito, Julia Sanz-Aparicio, Francisco J. Plou, Maria Fernandez-Lobato and Miguel Alcalde
Advanced Synthesis & Catalysis (2013) 
355, 1698–1702  (doi:10.1002/adsc.201200769)

The three-dimensional structure of Saccharomyces invertase: role of a noncatalytic domain in oligomerization and substrate specificity
M. Angela Sainz-Polo, Mercedes Ramírez-Escudero, Alvaro Lafraya, Beatriz González, Julia Marín-Navarro, Julio Polaina and Julia Sanz-Aparicio
Journal of Biological Chemistry (2013) 288, 9755-9766  (doi:10.1074/jbc.M112.446435)

Highly functionalized β,γ–diamino compounds through reductive amination of amino acid-derived β–keto esters
P. Pérez-Faginas, M.T. Aranda, M.T. García-López, L. Infantes, A. Fernández-Carvajal, J.M. González-Ros, A. Ferrer-Montiel and R. González-Muñiz
PLoS ONE (2013) 8, e53231   (doi:10.1371/journal.pone.0053231)

The Silver-catalyzed Cyclization of N-(prop-2-yn-1-yl)pyridin-2-amines
M. Chioua, E. Soriano, L. Infantes, M.L. Jimeno, J. Marco-Contelles and A. Samadi
European Journal of Organic Chemistry (2013) 1, 35-39   (doi:10.1002/ejoc.201201258)

Structural and Phylogenetic Analysis of Rhodobacter capsulatus NifF: Uncovering General Features of Nitrogen-fixation (nif)-Flavodoxins
Pérez-Dorado I., Bortolotti A., Cortez N., Hermoso J.A.
International Journal of Molecular Sciences (2013) 14, 1152-1163  (doi:10.3390/ijms14011152)

Sulfoxide-Directed Enantioselective Synthesis of Functionalized Tetrahydropyridines
Fernández de la Pradilla, R.; Simal, C.; Bates, R.H.; Viso, A.; Infantes, L.
Organic Letters (2013) 15, 4936-4939  (doi:10.1021/ol402141d)

Efficient Light Harvesters based on the 10-(1,3-Dithiol-2-ylidene)anthracene core
Bouit, P.A.; Infantes, L.; Calbo, J.; Viruela, R.; Ortí, E.; Delgado, J.L.; Martín, N.
Organic Letters (2013) 15, 4166-4169  (doi:10.1021/ol401841u)

The Structure and Dynamic Properties of 1H-Pyrazole-4-carboxylic acids in the Solid State
Infantes, L.; García, M.A.; López, C.; Claramunt, R.M.; Elguero, J.
Zeitschrift für Physikalische Chemie (2013) 227, 841-856  (doi:10.1524/zpch.2013.0377)



2012

Bin2 Is a Membrane Sculpting N-BAR Protein That Influences Leucocyte Podosomes, Motility and Phagocytosis
Sánchez-Barrena, M.J., Vallis, Y., Clatworthy, M.R., Doherty, G.J., Veprintsev, D.B., Evans, P.R. and McMahon, H.T.
PLoS One (2012) 7(12), e52401  (doi:10.1371/journal.pone.0052401)

NADP+ Binding to the Regulatory Subunit of Methionine Adenosyltransferase II Increases Intersubunit Binding Affinity in the Hetero-Trimer
Gonzalez, B; Garrido, F; Ortega, R; Martínez-Julvez, M; Revilla-Guarinos, A; Pérez-Pertejos. Y; Velázquez-Campoy, A; Sanz-Aparicio, J; and Pajares, M
PLoS ONE (2012) 7(11), e50329  (doi:10.1371/journal.pone.0050329)

¿Cómo aprendimos a “ver” átomos y moléculas después de von Laue?
Martín Martínez-Ripoll y Pascual Román-Polo
Anales de Química (2012) 108(3), 225–235  [PDF-copy]

Azepane quaternary amino acids as effective inducers of 310 helix conformations
D. Nuñez-Villanueva, L. Infantes, M.T. Garcia-Lopez, R. Gonzalez-Muñiz, M. Martín-Martínez
Journal of Organic Chemistry (2012) 77, 9833-9839   (doi:10.1021/jo301379r)

Structural insights on the plant Salt-Overly-Sensitive 1 (SOS1) Na+/H+ antiporter
Rafael Núñez-Ramírez, María José Sánchez-Barrena, Irene Villalta, Juan F. Vega, Jose M. Pardo, Francisco J. Quintero, Javier Martinez-Salazar and Armando Albert
Journal of Molecular Biology (2012) 424, 283-294  (doi:10.1016/j.jmb.2012.09.015)

The Structural Domains of Pseudomonas aeruginosa Phosphorylcholine Phosphatase Cooperate in Substrate Hydrolysis: 3D Structure and Enzymatic Mechanism
Lourdes Infantes, Lisandro Horacio Otero, Paola Rita Beassoni, Cristhian Boetsch, Angela Teresita Lisa, Carlos Eduardo Domenech and Armando Albert
Journal of Molecular Biology (2012) 423, 503–514  (doi:10.1016/j.jmb.2012.07.024)

Semisynthetic peptide-lipase conjugates for improved biotransformations
O. Romero, M. Filice, B. de las Rivas, C. Carrasco-Lopez, J. Klett, A. Morreale, J.A. Hermoso, J.M. Guisan, O. Abian and J.M. Palomo
Chemical Communications (2012) 48, 9053-9055 (doi:10.1039/C2CC34816K)

Conformational Changes Undergone by Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase Upon Substrate Binding: The Role of N-lobe and Enantiomeric Substrate Preference
Jose Ignacio Baños-Sanz, Julia Sanz-Aparicio, Hayley Whitfield, Chris Hamilton, Charles A. Brearley and Beatriz Gonzalez
Journal of Biological Chemistry (2012) 287, 29237-29249 (doi:10.1074/jbc.M112.363671)

Pneumococcal surface proteins: when the whole is greater than the sum of its parts
I. Pérez-Dorado, S. Galán-Bartual and J.A. Hermoso
Molecular Oral Microbiology (2012) 27, 221–245  (invited review) (doi:10.1111/j.2041-1014.2012.00655.x)

Crystallization and preliminary X-ray diffraction analysis of the invertase from Saccharomyces cerevisiae
M. A. Sainz-Polo, A. Lafraya, A. Polo, J. Marín-Navarro, J. Polaina and J. Sanz-Aparicio
Acta Crystallographica (2012) F68, 1538-1541  (doi:10.1107/S1744309112044417)

Expression, purification, crystallization and preliminary X-ray diffraction analysis of the apo form of InsP5 2-K from Arabidopsis thaliana
J.I. Baños-Sanz, J. Sanz-Aparicio, C.A. Brearley and  B. González
Acta Crystallographica (2012) F68, 701-704  (doi:10.1107/S1744309112017307)

Structural and kinetic insights reveal that the amino acid pair GLN228/ASN254 modulates the transfructosylating specificity of Schwanniomyces occidentalis β-fructofuranosidase, an enzyme that produces prebiotics
Miguel Alvaro-Benito, M. Angela Sainz-Polo, David Gonzalez-Perez, Beatriz Gonzalez, Francisco J. Plou, Maria Fernandez-Lobato, and Julia Sanz Aparicio
Journal of Biological Chemistry (2012) 287, 19674-19686  (doi:10.1074/jbc.M112.355503)

An analysis of subdomain orientation, conformational change and disorder in relation to crystal packing of aspartic proteinases
D. Bailey, E.P. Carpenter, A. Coker, S. Coker, J. Read, A.T. Jones, P. Erskine, C.F. Aguilar, M. Badasso, L. Toldo, F. Rippmann, J. Sanz-Aparicio, A. Albert, T.L. Blundell, N.B., Roberts, S.P. Wood and J.B. Cooper
Acta Crystallographica (2012) D68, 541-552  (doi: 10.1107/S0907444912004817)

Sagrario Martinez-Carrera (1925-2011)
Martinez-Ripoll, M.
Acta Crystallographica (2012) B68, 213–214  (doi:10.1107/S0108768112003540)

Structural basis of specificity in tetrameric Kluyveromyces lactis β-galactosidase
Pereira-Rodríguez, A; Fernández-Leiro, R; González-Siso, MI; Esperanza Cerdán, M; Becerra, M; Sanz-Aparicio, J
Journal of Structural Biology (2012) 177, 392–401  (doi:10.1016/j.jsb.2011.11.031)

Promiscuous enantioselective (–)-γ-lactamase activity in the Pseudomonas fluorescens esterase I
Leticia Luciana Torres, Marlen Schmidt, Anna Schliessmann, Noella Silva-Martin, Juan Hermoso, José Berenguer, Uwe Bornscheuer and Aurelio Hidalgo
Organic & Biomolecular Chemistry (2012) 10, 3388-3392  (doi: 10.1039/C2OB06887G)



2011

Nobel de Química 2011 a Daniel Shechtman por su descubrimiento de los cuasicristales y de una simetría "imposible"
Julia Sanz-Aparicio
mi+d (2011) published in Análisis Madri+d on 15 Nov. 2011  [PDF-copy]

A Practical Two-Step Synthesis of Imidazo[1,2-a]pyridines from N-(prop-2-yn-1-yl)pyridin-2-amines
D. Sucunza, A. Samadi, M. Chioua, D.B. Silva, C. Yunta, L. Infantes, M.C. Carreiras, E. Soriano, J. Marco-Contelles
Chemical Communications (2011) 47, 5043-5045  (doi:10.1039/C1CC10641D)

Quaternary α,α,-2-Oxoazepane alpha-Amino Acids: Synthesis from Ornithine-Derived β-Lactams and Incorporation into Model Dipeptides
D. Nuñez-Villanueva, M.A. Bonache, L. Infantes, M.T. Garcia-Lopez, M. Martin-Martinez, R. Gonzalez-Muniz
Journal of Organic Chemistry (2011) 76, 6592-6603  (doi:10.1021/jo200894d)

Crystallization and preliminary crystallographic analysis of a C2 protein from Arabidopsis thaliana
Maira Diaz, Lesia Rodriguez, Miguel Gonzalez-Guzman, Martin Martinez-Ripoll and Armando Albert
Acta Crystallographica (2011) F67, 1575–1578  (doi:10.1107/S1744309111040541)

Preliminary X-ray analysis of twinned crystals of the Q88Y25_Lacpl esterase from Lactobacillus plantarum WCFS1
Yanaisis Alvarez, Maria Esteban-Torres, Ivan Acebron, Blanca de las Rivas, Rosario Muñoz, Martin Martinez-Ripoll and Jose M. Mancheño
Acta Crystallographica (2011) F67, 1436–1439  (doi:10.1107/S1744309111036682)

The structure of Arabidopsis thaliana OST1 provides insights into the kinase regulation mechanism in response to osmotic stress
Cristina Yunta, Martín Martínez-Ripoll, Jian-Kang Zhu and Armando Albert
Journal of Molecular Biology (2011) 414, 135–144 (doi:10.1016/j.jmb.2011.09.041)

Fructo-oligosaccharide synthesis by mutant versions of Saccharomyces cerevisiae invertase
Lafraya, A., Sanz-Aparicio, J., Polaina, J. and Marín-Navarro, J.
Applied Environmental Microbiology (2011) 77, 6148-6157 (doi:10.1128/AEM.05032-11)

Crystallization and Preliminary X-Ray Diffraction Analysis of phosphoglycerate kinase from Streptococcus pneumoniae
N. Bernardo-García, S.G. Bartual, M. Fulde, S. Bergmann and J.A. Hermoso
Acta Crystallographica (2011) F67, 1285-1289  (doi:10.1107/S1744309111030922)

Crystallization and Preliminary X-Ray Diffraction Analysis of the transcriptional repressor Paax, the main regulator of the phenylacetic acid degradation pathway in Escherichia coli W.

A. Rojas-Altuve, C. Carrasco-López, V.M. Hernández-Rocamora, J.M. Sanz and J.A. Hermoso
Acta Crystallographica (2011) F67, 1278-1280  (doi:10.1107/S1744309111029873)


Crystal Structures of Bacterial Peptidoglycan Amidase AmpD and an Unprecedented Activation Mechanism
César Carrasco-Lopez, Alzoray Rojas-Altuve,  Welie Zhang,  Dusan Hesek,  Mijoon Lee,  Sophie Barbe, Isabelle André, Pilar Ferrer, Noella Silva-Martín, Germán R. Castro, Martín Martínez-Ripoll, Shahriar Mobashery, and Juan A. Hermoso
Journal of Biological Chemistry (2011) 286, 31714-31722 (doi:10.1074/jbc.M111.264366)

High-resolution structural insights on the sugar-recognition and fusion tag properties of a versatile β-trefoil lectin domain from the mushroom Laetiporus sulphureus
Angulo, I., Acebrón, I., de las Rivas, B., Muñoz, R., Rodríguez-Crespo, I., Menéndez, M., García, P., Tateno, H., Goldstein, I.J., Pérez-Agote, B. and Mancheño, J.M.
Glycobiology (2011) 
21, 1349-1361 (doi:10.1093/glycob/cwr074)

An esterase from Thermus thermophilus HB27 with hyper-thermoalkalophilic properties: purification, characterisation and structural modelling
Fuciños, P., Pastrana, L., Sanromán, A., Longo, M.A., Hermoso, J.A., Rúa M.L.
Journal of Molecular Catalysis B: Enzymatic (2011) 70, 127-137 (doi:10.1016/j.molcatb.2011.02.017)

High-Resolution Crystal Structure of an Outer Membrane-Anchored Endolytic Peptidoglycan Lytic Transglycosylase (MltE) from Escherichia coli
Cecilia Artola-Recolons, Cesar Carrasco-López, Leticia Irene Llarrull, Malika Kumarasiri, Elena Lastochkin, Iñaki Martínez de Ilarduya, Kathrin Meindl, Isabel Usón, Shahriar Mobashery and Juan A. Hermoso
Biochemistry (2011) 50, 2384-2386 (doi:10.1021/bi200085y)

Coordination driven or/and H-bonded Cu(II)-N,N-dialkylisonicotinamide frameworks
Ajay Pal Singh Pannu, Pratibha Kapoor, Geeta Hundal, Ramesh Kapoor, Martin Martinez-Ripoll, Rayond J. Butcher, Maninder Singh Hundal
Polyhedron (2011) 30, 1691-1702  (doi:10.1016/j.poly.2011.03.047)

A self assembled 3-D network propagated by coordination polymerization and H-bonding: synthesis and X-ray crystal structure of [{Co(L)2(H2O)2}(ClO4)2(CH3COCH3)2(H2O)2]n, where L = N,N-diisopropylisonicotinamide
Ajay Pal Singh Pannu, Pratibha Kapoor, Geeta Hundal, Ramesh Kapoor, Martin Martinez-Ripoll and Maninder Singh Hundal
Journal of Coordination Chemistry (2011)  64, 1566-1577 (doi:10.1080/00958972.2011.574286)

SnRK2.6/OST1 from Arabidopsis thaliana: cloning, expression, purification, crystallization and preliminary X-ray analysis of K50N and D160A mutants
Cristina Yunta, Martin Martinez-Ripoll and Armando Albert
Acta Crystallographica (2011) F67, 364–368 (doi:10.1107/S1744309110053807)

Crystallization and Preliminary X-Ray Diffraction Analysis of Lytic Transglycosylase MltE from Escherichia coli
Cecilia Artola-Recolons, Leticia Llarrull, Elena Lastochkin, Shahriar Mobashery and Juan A. Hermoso
Acta Crystallographica (2011) F67, 161-163 (doi:10.1107/S1744309110049171)


New Alkaloid Antibiotics that Target the DNA Topoisomerase I of Streptococcus pneumoniae
Teresa García, María Amparo Blázquez, María José Ferrándiz, María Jesús  Sanz, Noella Silva-Martín, Juan A. Hermoso and Adela G. de la Campa
Journal of Biological Chemistry (2011) 286, 6402-6413  (doi:10.1074/jbc.M110.148148)

The pURI family of expression vectors: A versatile set of ligation independent cloning plasmids for producing recombinant His-fusion proteins.
Curiel, J.A., de Las Rivas., B, Mancheño, J.M., Muñoz, R.
Protein Expression and Purification (2011) 76, 44-53  (doi:10.1016/j.pep.2010.10.013)



2010
 
Crystallographers in Spain
Martín Martínez-Ripoll
IUCr Newsletter (2010) 18(4), 5-13  [PDF-copy]

Crystallography in Spain
Martín Martínez-Ripoll
IUCr Newsletter (2010) 18(3), 5-9  
 [PDF-copy]

Cristalografía en España
Martín Martínez-Ripoll
Anales de Química (2010) 106, 319-329  
 [PDF-copy]

Controlling Optical Properties and Function of BODIPY by Using Asymmetric Substitution Effects
J. Bañuelos-Prieto, A.R. Agarrabeitia, I. García-Moreno, I. López Arbeloa, A. Costela, L. Infantes, M.E. Perez-Ojeda, M. Palacios-Cuesta and M.J. Ortiz
Chemistry European Journal (2010) 16, 14094-14105   (doi:10.1002/chem.201002095)


Biochemical characterization of the transcriptional regulator BzdR from Azoarcus sp. CIB
Durante-Rodriguez, G., Valderrama, A., Mancheño, J.M., Rivas, G., Alfonso, C., Arias-Palomo, E., Llorca, O., Garcia, J.L., Diaz, E., Carmona, M.
Journal of Biological Chemistry (2010) 285, 35694-35705  (doi:10.1074/jbc.M110.143503)

Synthesis of (E)-diethyl 6,60-(diazene-1,2-diyl)bis(5-cyano-2-methyl-4-phenylnicotinates), a new type of 2,20-azopyridine dyesodification of pancreatic lipase properties by directed molecular evolution
Botelho da Silva, D., Samadi, A., Infantes, L., Carreiras, M.C. and Marco-Contelles, J.
Tetrahedron Letters (2010) 51, 6278-6281 (doi:10.1016/j.tetlet.2010.09.095)

Modification of pancreatic lipase properties by directed molecular evolution
Colin, D.Y., Deprez-Beauclair, P., Silva, N., Infantes, L. and Kerfelec, B.
Protein Engineering Design & Selection (2010) 23, 365-373 (doi:10.1093/protein/gzq008)

New insights into the fructosyltransferase activity of Schwanniomyces occidentalis β-fructofuranosidase, emerging from nonconventional codon usage and directed mutation
Alvaro-Benito, M., Abreu, M., Portillo, F., Sanz-Aparicio, J. and Fernández-Lobato, M.
Applied Environmental Microbiology (2010) 76, 7491-7499 (doi:10.1128/AEM.01614-10)
 
Crystallization and preliminary X-ray diffraction analysis of the fructofuranosidase from Xanthophyllomyces dendrorhous
Polo, A., Linde, D., Estévez, M., Fernández-Lobato, M. and Sanz-Aparicio, J.
Acta Crystallographica (2010) F66, 1441-1444 (doi:10.1107/S1744309110029192)

Crystallization and preliminary X-ray diffraction analysis of Pseudomonas aeruginosa phosphorylcholine phosphatase
L.H. Otero, P.R. Beassoni, C.E. Domenech, A.T. Lisa and A. Albert
Acta Crystallographica (2010) F66, 957-960 (doi:10.1107/S1744309110024061)

Structural analysis of Saccharomyces cerevisiae α-galactosidase and its complexes with natural substrates reveals new insights into substrate specificity of GH27 glycosidases
Rafael Fernández-Leiro, Ángel Pereira-Rodríguez, M. Esperanza Cerdán, Manuel Becerra and Juliana Sanz-Aparicio
Journal of Biological Chemistry (2010) 285, 28020-28033 (doi:10.1074/jbc.M110.144584)

Inositol 1,3,4,5,6-pentakisphosphate 2-kinase is a distant IPK member with a singular inositide binding site for axial 2-OH recognition
B. González, J. Baños-Sanz, M. Villate, C. Brearley and J. Sanz-Aparicio
Proceedings of the National Academy of Sciences (2010) 107, 9608-9613  (doi:10.1073/pnas.0912979107)

Insights into pneumococcal fratricide from crystal structure of the modular Killing Factor LytC
Inmaculada Pérez-Dorado, Ana González, María Morales, Reyes Sanles, Waldemar Striker, Waldemar Vollmer, Shahriar Mobashery, José L. García, Martín Martínez-Ripoll, Pedro García and Juan A. Hermoso
Nature Structural & Molecular Biology (2010) 17, 576-582 (doi:10.1038/nsmb.1817)

Promotion of multipoint covalent immobilization through different regions of genetically modified penicillin G acylase from E. coli
Grazú V., López-Gallego F., Montes T., Abian O., González R., Hermoso J.A., García J.L., Mateo C. and Guisán J.M. 
Process Biochemistry (2010) 45, 390-398  (doi:10.1016/j.procbio.2009.10.013)

Pneumococcal CbpD is a murein hydrolase that requires a dual cell envelope binding specificity to kill target cells during fratricide
Vegard Eldholm, Ola Johnsborg, Daniel Straume, Hilde Solheim Ohnstad, Kari Helene Berg, Juan A. Hermoso and Leiv Sigve Håvarstein
Molecular Microbiology (2010) 
76, 905-917 (doi:10.1111/j.1365-2958.2010.07143.x)

Crystallization and preliminary crystallographic analysis of the catalytic module of endolysin from Cp-7, a phage infecting Streptococcus pneumoniae
Noella Silva-Martin, Rafael Molina, Ivan Angulo, José M. Mancheño, Pedro García and Juan A. Hermoso
Acta Crystallographica (2010) F66, 670–673  (doi:10.1107/S1744309110006718)

Crystallization of the pneumococcal autolysin LytC: in-house phasing using novel lanthanide complexes
I. Pérez-Dorado, R. Sanles, A. González, P. García, J.L. García, M. Martínez-Ripoll and J.A. Hermoso
Acta Crystallographica (2010) F66, 448-451 (doi:10.1107/S1744309110006081)

Oligomeric State in the Crystal Structure of Modular FAD Synthetase Provides Insights into Its Sequential Catalysis in Prokaryotes
Beatriz Herguedas, Marta Martínez-Júlvez, Susana Frago, Milagros Medina and Juan A. Hermoso
Journal of Molecular Biology (2010) 400, 218–230  (doi:10.1016/j.jmb.2010.05.018)


p-Coumaric acid decarboxylase from Lactobacillus plantarum: Structural insights into the active site and decarboxylation catalytic mechanism
Héctor Rodríguez, Iván Angulo, Blanca de las Rivas, Nuria Campillo, Juan A. Páez, Rosario Muñoz and José M. Mancheño
Proteins: Structure, Function, and Bioinformatics (2010) 78, 1662-1676 (doi:10.1002/prot.22684)


Laetiporus sulphureus Lectin and Aerolysin Protein Family
Jose Miguel Mancheño, Hiroaki Tateno, Daniel Sher and Irwin J. Goldstein
in
Proteins: Membrane Binding and Pore Formation (2010), Chp. 6, pp. 67-80. Gregor Anderluh and Jeremy Lakey, Eds., Landes Bioscience. ISBN: 978-1-4419-6326-0. See also Advances in Experimental Medicine and Biology (2010) 677, 67-80

Structural and kinetic analysis of Schwanniomyces occidentalis invertase reveals a new oligomerization pattern and the role of its supplementary domain in substrate binding

Alvaro-Benito, M., Polo, A., González, B., Fernández-Lobato, M. and Sanz-Aparicio, J.
Journal of Biological Chemistry (2010) 285, 13930-13941 (doi:10.1074/jbc.M109.095430)

Structure of GroEL in Complex with an Early Folding Intermediate of Alanine Glyoxylate Aminotransferase
Armando Albert, Cristina Yunta, Rocío Arranz, Álvaro Peña, Eduardo Salido, José María Valpuesta and Jaime Martín-Benito 
Journal of Biological Chemistry (2010) 285, 6371-6376  (doi:10.1074/jbc.M109.062471)

Crystallization and preliminary X-ray crystallographic analysis of β-galactosidase from Kluyveromyces lactis
Pereira-Rodríguez, A. Fernández-Leiro, R., González-Siso, M., Cerdán, E., Becerra, M. and Sanz-Aparicio, J. 
Acta Crystallographica (2010) F66, 297-300 (doi:10.1107/S1744309109054931)

Crystallization and preliminary X-ray diffraction analysis of inositol 1,3,4,5,6-pentakisphosphate kinase from Arabidopsis thaliana
Baños-Sanz, J.I., Villate, M., Sanz-Aparicio, J., Brearley, C.A. and González B.
Acta Crystallographica (2010) F66, 102-106  (doi:10.1107/S1744309109051057)

Crystallization and preliminary X-ray diffraction analysis of α-galactosidase from Saccharomyces cerevisiae
Fernández-Leiro, F., Pereira, A., Cedán, E. Becerra-Fernández, M. and Sanz-Aparicio, J.
Acta Crystallographica (2010) F66, 44-47  (doi:10.1107/S1744309109047794)

Structural insights into the specificity of Xyn10B from Paenibacillus barcinonensis and its improved stability by forced protein evolution
Gallardo, O. Pastor, F.J., Polaina, J., Díaz, P., Vogel, P. Isorna, P., González-Pérez, B. and Sanz-Aparicio, J.
Journal of Biological Chemistry (2010) 285, 2721-2733  (doi:10.1074/jbc.M109.064394)



2009
 
Sticholysins, two pore-forming toxins produced by the Caribbean Sea anemone Stichodactyla helianthus: their interaction with membranes
C. Alvarez, J.M. Mancheño, D. Martínez, M. Tejuca, F. Pazos and M.E. Lanio
Toxicon (2009) 54, 1135-1147 (doi:10.1016/j.toxicon.2009.02.022)


Food phenolics and lactic acid bacteria
H. Rodriguez, J.A. Curiel, J.M. Landete, B. de las Rivas, F. López de Felipe, C. Gómez-Cordovés, J.M. Mancheño and R. Muñoz
International Journal of Food Microbiology (2009) 132, 79-90  (doi:10.1016/j.ijfoodmicro.2009.03.025)


Production and physicochemical properties of recombinant Lactobacillus plantarum tannase
J.A. Curiel, H. Rodríguez, I. Acebrón, J.M. Mancheño, B. de Las Rivas and R. Muñoz
Journal of Agricultural and Food Chemistry (2009) 57, 6224-6230  (doi:10.1021/jf901045s)

Crystal structure of the hexameric catabolic ornithine transcarbamylase from Lactobacillus hilgardii: Structural insights into the oligomeric assembly and metal binding
B. de Las Rivas,
G.C. Fox, I. Angulo, M. Martinez-Ripoll, H. Rodríguez, R. Muñoz and J.M. Mancheño
Journal of Molecular Biology (2009) 393, 425-434  (doi:10.1016/j.jmb.2009.08.002)

Crystallization and preliminary X-ray diffraction studies of the FAD synthetase from Corynnebacterium ammoniagenes

Beatriz Herguedas, Marta Martínez-Júlvez, Milagros Medina and Juan A. Hermoso
Acta Crystallographica (2009) F65, 1285-1288  (doi:10.1107/S1744309109044789)


Crystallization and preliminary X-ray diffraction studies of the carbohydrate recognition domain of SIGN-R1, a receptor for microbial polysaccharides and sialylated antibody on splenic marginal zone macrophages

N. Silva-Martin, J.D. Schauer, C.G. Park and J.A. Hermoso
Acta Crystallographica (2009) F65, 1264-1266
(doi:10.1107/S1744309109041992)

Crystallization and preliminary X-ray diffraction analysis of the fructofuranosidase from Schwanniomyces occidentalis
Polo-Rivas, A. Alvaro-Benito, A., Fernández-Lobato, M. and Sanz-Aparicio, J.
Acta Crystallographica (2009) F65, 1162-1165  (doi:10.1107/S174430910903938)


Discovery of specific flavodoxin inhibitors as potential therapeutic agents against Helicobacter pylori infection

Nunilo Cremades, Adrián Velázquez-Campoy, Marta Martínez-Júlvez, José L. Neira, Inmaculada Pérez-Dorado, Juan Hermoso, Pilar Jiménez, Angel Lanas, Paul S. Hoffman and Javier Sancho
ACS Chemical Biology (2009) 4, 928-938  (doi:
10.1021/cb900166q)

Cloning, production, purification and preliminary crystallographic analysis of a glycosidase from the food lactic acid bacterium Lactobacillus plantarum CECT 748T

Iván Acebrón, José A. Curiel, Blanca de las Rivas, Rosario Muñoz, José M. Mancheño
Protein Expression and Purification (2009) 68, 177-182 (doi:10.1016/j.pep.2009.07.006)

Characterization of gadolinium complexes for SAD phasing in macromolecular crystallography: application to CbpF
Rafael Molina, Meike Stelter, Richard Kahn and Juan A. Hermoso
Acta Crystallographica (2009) D65, 823–831 (doi:10.1107/S0907444909017958)

Protein Motifs Involved in Coenzyme Interaction and Enzymatic Efficiency in Anabaena Ferredoxin–NADP+ Reductase
José Ramón Peregrina, Beatriz Herguedas, Juan A. Hermoso, Marta Martínez-Júlvez and Milagros Medina
Biochemistry (2009) 48, 3109-3119 (doi:10.1021/bi802077c)

Crystal structure of CbpF, a bifunctional choline-binding protein and autolysis regulator from Streptococcus pneumoniae
Rafael Molina, Ana González, Meike Stelter, Inmaculada Pérez-Dorado, Richard Kahn, María Morales, Susana Campuzano, Nuria E. Campillo, Shahriar Mobashery, José L. García, Pedro García and Juan A. Hermoso
EMBO Reports (2009) 10, 246-251 (doi:10.1038/embor.2008.245)

Activation of bacterial thermoalkalophilic lipases is spurred by dramatic structural rearrangements
Cesar Carrasco-López, Cesar Godoy, Blanca de las Rivas, Gloria Fernandez-Lorente, Jose M. Palomo, José M. Guisán, Roberto Fernández-Lafuente, Martín Martínez-Ripoll and Juan A. Hermoso
Journal of Biological Chemistry (2009) 284, 4365-4372 (doi:10.1074/jbc.M808268200)


Coenzyme binding and hydride transfer in Rhodobacter capsulatus ferredoxin/flavodoxin NADP(H) oxidoreductase
Ana Bortoloti, Inmaculada Pérez-Dorado, Guillermina Goñi, Milagros Medina, Juan A. Hermoso, Néstor Carrillo and Néstor Cortez
Biochimica et Biophysica Acta - Proteins & Proteomics (2009) 1794, 199-210 (doi:10.1016/j.bbapap.2008.09.013)

Flavodoxin: A compromise between efficiency and versatility in the electron transfer from Photosystem I to Ferredoxin-NADP+ reductase
Guillermina Goñi, Beatriz Herguedas, Manuel Hervás, José R. Peregrina, Miguel A. de la Rosa, Carlos Gómez-Moreno, José A. Navarro, Juan A. Hermoso, Marta Martínez-Júlvez and Milagros Medina
Biochimica et Biophysica Acta - Bioenergetics (2009) 1787, 144–154
(doi:10.1016/j.bbabio.2008.12.006)

Further Evidence for 2-Alkyl-2-carboxyazetidines as γ-Turn Inducers
J.L. Baeza, G. Gerona-Navarro, K. Thompson, M.J. Prez de Vega, L. Infantes, M.T. García-Lopez, R. Gonzalez-Muñiz and M. Martin-Martinez
Journal of Organic Chemistry (2009) 74, 8203-8211  (doi:10.1021/jo901712x)

 
Molecular Crystal Prediction Approach by Molecular Similarity: Data Mining on Molecular Aggregation Predictors and Crystal descriptors
J. Fayos
Crystal Growth and Design (2009) 9, 3142-3153  (doi:10.1021/cg801122m)
 

 
2008


Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases
Apsel B., Blair J.A., Gonzalez B., Nazif T.M., Feldman M.E., Aizenstein B., Hoffman R., Williams R.L., Shokat K.M. and Knight Z.A.
Nature Chemical Biology (2008) 4, 691-699 (doi:10.1038/nchembio.117)

Crystallization and preliminary X-ray diffraction studies of the BTL2 lipase from extremophilic microorganism Bacillus thermocatenulatus
César Carrasco-López, César Godoy, Blanca de las Rivas, Gloria Fernández-Lorente, José M. Palomo, José M. Guisán, Roberto Fernández-Lafuente, Martín Martínez-Ripoll and Juan A. Hermoso
Acta Crystallographica (2008) F64, 1043-1045
 (doi:10.1107/S1744309108031928)

A one-pot, simple methodology for cassette randomisation and recombination for focused directed evolution
Aurelio Hidalgo, Anna Schliessmann, Rafael Molina, Juan Hermoso and Uwe T. Bornscheuer
Protein Engineering, Design & Selection (2008) 21(9), 567-576  [PDF-copy]

Solid-Phase Chemical Amination of a Lipase from Bacillus thermocatenulatus To Improve Its Stabilization via Covalent Immobilization on Highly Activated Glyoxyl-Agarose
Gloria Fernandez-Lorente, Cesar A. Godoy, Adriano A. Mendes, Fernando Lopez-Gallego, Valeria Grazu, Blanca de las Rivas, Jose M. Palomo, Juan Hermoso, Roberto Fernandez-Lafuente, and Jose M. Guisan
Biomacromolecules (2008) 9, 2553–2561  
[PDF-copy]

Characterization of the p-coumaric acid decarboxylase from Lactobacillus plantarum CECT 748(T)
Rodríguez, H., Landete, J.M., Curiel, J.A., de Las Rivas, B., Mancheño, J.M., Muñoz, R.
Journal of Agricultural and Food Chemistry (2008) 56, 3068-3072 (doi:10.1021/jf703779s)

Las enzimas líticas de los bacteriófagos (Enzibióticos): Nuevas terapias contra las infecciones bacterianas
Hermoso, J.A.
MADRI+D (2008), Abril 29th [Web-access]

Los enzibióticos progresan en un momento clave
Hermoso, J.A.
Diario Médico (2008) 16 mayo, 16-17  [PDF-copy]

Structural characterization of a ferredoxin-NADP(H) reductase and a flavodoxin from Rhodobacter capsulatus by X-ray crystallography
Inmaculada Pérez-Dorado, Ana Bortolotti, Néstor Cortez and Juan A. Hermoso
in Flavins and Flavoproteins (2008). S. Frago, C. Gómez-Moreno and M. Medina Eds. (2008). 261-267. ISBN: 978-84-7733-017-2

The coenzyme binding site of bacterial ferredoxin/flavodoxin-NADP(H) reductases
Inmaculada Pérez-Dorado, Juan A. Hermoso, Guillermina Goñi, Milagros Medina, Ana Bortolotti, Néstor Carrillo, and Néstor Cortez
in Flavins and Flavoproteins (2008). S. Frago, C. Gómez-Moreno and M. Medina Eds. (2008). 267-273. ISBN: 978-84-7733-017-2

Crystallization and preliminary crystallographic analysis of merohedrally twinned crystals of MJ0729, a CBS-domain protein from Methanococcus jannaschii
P. Fernández-Millán, D. Kortazar, M. Lucas, M.L. Martínez-Chantar, E. Astigarraga, J.A. Fernández, O. Sabas, A. Albert, J.M. Mato and L.A. Martínez-Cruz
Acta Crystallographica (2008) F64, 605-609

Crystallization of a flavodoxin involved in the nitrogen fixation in Rhodobacter capsulatus

I. Pérez-Dorado, A. Bortolotti, N. Cortez and J.A. Hermoso
Acta Crystallographica (2008) F64, 375-377  (doi: 10.1107/S1744309108008038)



2007

The structure of the C-terminal domain of the protein kinase AtSOS2 bound to the calcium sensor AtSOS3
María José Sánchez-Barrena, Hiroaki Fujii, Ivan Angulo, Martín Martínez-Ripoll, Jian-Kang Zhu and Armando Albert
Molecular Cell (2007) 26, 427-435 (doi:10.1016/j.molcel.2007.04.013)

Taking aim on bacterial pathogens: from phage therapy to enzybiotics
Juan A. Hermoso, José L García, Pedro García
Current Opinion in Microbiology (2007) 10(5), 461-472 (doi:10.1016/j.mib.2007.08.002)

Enhancement of the Stability of a Prolipase from Rhizopus oryzae Towards Aldehydes by Saturation Mutagenesis
Mirella Di Lorenzo, Aurelio Hidalgo, Rafael Molina, Juan A. Hermoso, Guido Greco and Uwe T. Bornscheuer
Applied and Environmental Microbiology (2007) 73(22), 7291-7299  (doi:10.1128/AEM.01176-07)

Crystallization and preliminary X ray diffraction studies of the Choline Binding Protein F from Streptococcus pneumoniae
Rafael Molina, Ana González, Miriam Moscoso, Pedro García, Meike Stelter, Richard Kahn and Juan A. Hermoso
Acta Crystallographica (2007) F63, 742-745 (doi:10.1107/S1744309107035865)

The complex between SOS3 and SOS2 regulatory domain from Arabidopsis thaliana: Cloning, expression, purification, crystallization and preliminary X-ray analysis
Sánchez-Barrena, M.J., Moreno-Pérez, S., Angulo, I., Martínez-Ripoll, M. and Albert, A.
Acta Crystallographica (2007) F63, 568-570  (doi:10.1107/S174430910702533X)


El Neumococo. Mecanismo patogénico
J.A. Hermoso
Investigación y Ciencia (2007) 29-31  (link to the web)

Tuning of the FMN binding and oxido-reduction properties by neighboring side chains in Anabaena Flavodoxin
S. Frago, G. Goñi, B. Herguedas, J.R. Peregrina, A. Serrano, I. Perez-Dorado, R. Molina, C. Gómez-Moreno, J.A. Hermoso, M. Martínez-Júlvez, S. G. Mayhew and M. Medina
Archives of Biochemistry and Biophysics (2007) 467, 206-217  (doi:10.1016/j.abb.2007.08.024)

Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1
I. Pérez-Dorado, N. E. Campillo, B. Monterroso, D. Hesek, M. Lee, J. A. Páez, P. García, M. Martínez-Ripoll, J. L. García, S. Mobashery, M. Menéndez and J.A. Hermoso
Journal of Biological Chemistry (2007) 282, 24990-24999  (doi:10.1074/jbc.M704317200)

Common conformational changes in flavodoxins induced by FMN and anion binding: The structure of Helicobacter pylori apoflavodoxin
M Martínez-Júlvez, N Cremades, M Bueno, I Pérez-Dorado, C Maya, S Cuesta-López, D Prada, F Falo, J.A. Hermoso and. J Sancho
Proteins: Structure, Function and Bioinformatics (2007) 69, 581-594  (doi:10.1002/prot.21410)

Genetic Modification of the Penicillin G Acylase Surface To Improve Its Reversible Inmobilization on Ionic Exchangers
Tamara Montes, Valeria Grazu, Fernando López-Gallego, Juan A. Hermoso, José L. García, Isabel Manso, Beatriz Galán, Ramón González, Roberto Fernández-Lafuente and José M. Guisán
Applied and Environmental Microbiology (2007) 73(1), 312-319  (doi:10.1128/AEM.02107-06)

Improved stabilization of genetically modified Penicillin G Acylase in the presence of organic cosolvents by co-immobilization of the enzyme with polyethylenimine
Tamara Montes, Valeria Grazu, Isabel Manso, Beatriz Galán, Ramón González, Fernando López-Gallego, Juan A. Hermoso, José L. garcía, José M. Guisán and Roberto Fernández-Lafuente
Adv. Synth. Catal. (2007). 349, 459-464  (doi:10.1002/adsc.200600313)

Insights into molecular plasticity of choline binding proteins (pneumococcal surface proteins) by SAXS
Rubén M. Buey, Begoña Monterroso, Margarita Menéndez, Greg Diakun, Pablo Chacón, Juan Antonio Hermoso and J. Fernando Díaz
Journal of Molecular Biology, (2007), 365 (2), 411-424  (doi:10.1016/j.jmb.2006.09.091)

Mixed ion exchangers supports as useful ion exchangers for protein purification. Purification of penicillin G acylase from E.coli
Manuel Fuentes, Pilar Batalla, Valeria Grazu, Benevides C.C. Pessela, Cesar Mateo, Tamara Montes, Juan A. Hermoso, José M. Guisán and Roberto Fernández-Lafuente
Biomacromolecules (2007) 8(2), 703-707

Insights into the activation of brain serine racemase by the multi-PDZ domain glutamate receptor interacting protein, divalent cations and ATP
Baumgart, F,  Mancheño JM, Rodríguez-Crespo, I
FEBS J. (2007) 274(17), 4561-4571

Overexpression, purification, crystallization and preliminary structural studies of catabolic ornithine transcarbamylase from Lactobacillus hilgardii
de las Rivas, B, Rodríguez, H, Angulo, I, Muñoz, R, Mancheño JM
Acta Crystallographica (2007) F63, 563-567

Expression vectors for enzyme restriction- and ligation-independent cloning for producing recombinant His-fusion proteins
de las Rivas, B, Curiel, JM., Mancheño JM, Muñoz, R
Biotechnol. Prog. (2007) 23, 680-686

Overexpression, purification, crystallization and preliminary structural studies of p-coumaric acid decarboxylase from Lactobacillus plantarum
Rodríguez, H, de las Rivas, B, Muñoz, R, Mancheño, JM
Acta Crystallographica (2007) F63, 300-303

Crystal structures of Paenibacillus polymyxa β-glucosidase B complexes reveal the molecular basis of substrate specificity and give insights into the catalytic mechanism of family I glycosidases
Isorna, P., Polaina, J., Latorre-García. L., Cañada, F.J., González, B. y Sanz-Aparicio, J.
Journal of Molecular Biology (2007) 371, 1204-1218

Xylanases: Molecular properties and applications
Pastor, F.J., Gallardo, O., Sanz-Aparicio, J. y Díaz, P.
in Industrial Enzymes: Structure, Function and Applications (2007) Chpt. 5, 65-82, Springer NL,  Polaina, Julio; MacCabe, Andrew P. (Eds.), XII, 642 p., Hardcover. ISBN: 978-1-4020-5376-4



2006

A pharmacological map of the PI3-K family defines a role for p110α in insulin signaling
Knight Z.A., González B.,  Feldman M.E., Zunder E.R., Goldenberg D.D., Williams O., Loewith R., Stokoe D., Balla A., Toth B., Balla T.,  Weiss W.A., Williams R.L. and Shokat K.M.
Cell (2006) 125, 733-747    
[PDF-copy]

The role of electrostatic interactions in the antitumor activity of dimeric Rnases
Notomista, E, Mancheño JM, Crescenzi, O, Di Donato A, Gavilanes, JG, D´Alessio, G
FEBS J. (2006) 273, 3687-3697

A complementary microscopy analysis of Sticholysin II crystals on lipid films: Atomic Force and Transmission Electron characterizations
Mancheño JM, Martín-Benito J, Gavilanes JG, Vázquez L
Biophys. Chem. (2006) 119(3), 219-223

Chemical modification of protein surfaces to improve their reversible enzyme immobilization on ionic exchangers
Tamara Montes, Valeria Grazu, Fernando López-Gallego, Juan A. Hermoso, José M. Guisán and Roberto Fernández-Lafuente
Biomacromolecules (2006). 7, 3052-3058  (doi:10.1021/bm060527p)

Cell signaling and function organized by PB1 domain interactions
Moscat, J., Diaz-Meco, M.T., Albert, A. and Campuzano, S.
Molecular Cell (2006) 23, 631-640    [PDF-copy]

X-ray and Neutron Diffraction Approaches to the Structural Analysis of Protein-Lipids Interactions
Juan A. Hermoso, José M. Mancheño and Eva Pebay-Peyroula
in Protein-Lipid Interactions. New Approaches and Emerging Concepts. Springer Verlag Berlin Heidelberg, (2006). pp.63-100  (doi:10.1007/3-540-28435-4_3)

La Quimica de la vida a escala atomica
Hermoso, J.A., Sanz-Aparicio, J.A. and Albert, A.
Anales de Química (2006) 102(4), 15-22   [PDF-copy]



2005

Insights into pneumococcal pathogenesis from crystal structure of the modular teichoic acid phosphorylcholine esterase Pce
Hermoso, J., Lagartera, L., Gonzalez, A., Stelter, M., Garcia, P., Martinez-Ripoll, M., Garcia, J.L. and Menendez, M.
Nature Structural and Molecular Biology (2005) 12, 533-538  (doi:10.1038/nsmb940)

C-terminal Tyrosine of Ferredoxin-NADP+ reductase in the hydride transfer processes with NAD(P)+/H
J. Tejero, I. Pérez-Dorado, C. Maya, M. Martínez-Júlvez, J. Sanz-Aparicio, C. Gómez-Moreno, J.A. Hermoso and M. Medina
Biochemistry (2005) 44, 13477-13490  (doi:10.1021/bi051278c)

Structure of the Functional Domain of phi 29 Replication Organizer: Insights into oligomerization and DNA binding
J.L. Asensio, A. Albert, D. Muñoz-Espín, C. Gonzalez, J. Hermoso, L. Villar, J. Jiménez-Barbero, M. Salas, and W.J.J. Meijer
Journal of Biological Chemistry (2005) 280, 20730-20739  (doi:10.1074/jbc.M501687200)

Hydralysins: A new category of beta-pore-forming toxins in cnidaria. Characterization and preliminary structure-function analysis
Sher DJ, Fishman Y, Zhang M, Lebendiker M, Gaathon A, Mancheño JM, Zlotkin E
J. Biol. Chem. (2005) 280(24), 22847-22855

BzdR, a repressor that controls the anaerobic catabolism of benzoate in Azoarcus sp. CIB, is the first member of a new subfamily of transcriptional regulators
Barragán MJ, Blázquez B, Zamarro MT, Mancheño JM, García JL, Díaz E, Carmona M
J. Biol. Chem. (2005) 280(11), 10683-10694

The 1.49 A resolution crystal structure of PsbQ from photosystem II of Spinacia oleracea reveals a PPII structure in the N-terminal region
Balsera. M., Arellano, J.B., Revuelta, J.L., de las Rivas, J. and Hermoso, J.
Journal of Molecular Biology (2005) 350, 1051-1060  (doi:10.1016/j.jmb.2005.05.044)

Crystallization and preliminary X-ray diffraction studies of the pneumococcal teichoic acid phosphorylcholine esterase Pce
Lagartera, L., Gonzalez, A., Stelter, M., Garcia, P., Kahn, R., Menendez, M. and Hermoso, J.
Acta Crystallographica (2005) F61, 221-224  (doi:10.1107/S1744309105001636)

Conformational engineering of lipases via directed immobilization. Improving the resolution of chiral drugs
J.M Palomo, G. Fernández-Lorente, C. Ortiz, R. L. Segura, C. Mateo, M. Fuentes, J. Hermoso, R. Fernández- Lafuente and J. M Guisán
Medicinal Chemistry reviews-online (2005) 2(5), 369-378  (doi:10.2174/156720305774330494)

Structural Analysis of the Laetiporus sulphureous Hemolytic Pore-forming Lectin in Complex with Sugars
Mancheño, J.M., Tateno, H., Goldstein, I.J., Martínez-Ripoll, M. and Hermoso, J.A.
Journal of Biological Chemistry (2005) 280, 17251-17259

Activation in the family of Candida rugosa isolipases by polyethylene glycol
Otero, C., Fernández-Pérez, M., Hermoso, J.A. and Martínez-Ripoll, M.
Journal of Molecular Catalysis B: Enzymatic (2005) 32, 225-229

Structural Analysis of Interactions for Complex Formation between Ferredoxin-NADP+ Reductase and Its Protein Partners
Mayoral, T., Martinez-Julvez, M., Perez-Dorado, I., Sanz-Aparicio, J., Gomez-Moreno, C., Medina, M. and Hermoso, J.A.
Proteins: Structure, Function, and Bioinformatics (2005) 59, 592-602

Pneumococcal phosphorylcholine esterase, Pce, contains a zinc binuclear center that is essential for substrate binding and catalysis
L. Lagartera, A. González, J. A. Hermoso, J. L. Saíz, P. García, J. L. García and M. Menéndez
Protein Science (2005) 14, 3013-3024  (doi:10.1110/ps.051575005)

The Ferredoxin-NADP(H) Reductase from Rhodobacter capsulatus: Molecular Structure and Catalytic Mechanism
I. Nogués, I. Pérez-Dorado, S. Frago, C. Bittel, S. G. Mayhew, C. Gómez-Moreno, J. A. Hermoso, M. Medina, N. Cortez, and N. Carrillo
Biochemistry (2005) 44, 11730-11740  (doi:10.1021/bi0508183)

Probing the Determinants of Substrate Specificity of a Feruloyl Esterase, AnFaeA, from Aspergillus niger
C.B. Faulds, R. Molina, R. Gonzalez, F. Husband, N. Juge, J. Sanz-Aparicio and J. A. Hermoso
FEBS Journal (2005) 272, 4362-4371  (doi:10.1111/j.1742-4658.2005.04849.x)

The structure of the functional dimeric domain of phage f29 protein p16.7 reveals mechanisms for oligomerization and DNA binding
Asensio, JL, Albert, A, Muñoz-Espín, D, González, C, Hermoso, JA, Villar, L, Jiménez-Barbero, J, Salas, M and Meijer, W
Journal of Biological Chemistry (2005) 280, 20730-20739

Structural basis for membrane anchorage of viral phi 29 DNA during replication
Albert, A., Munoz-Espin, D., Jimenez, M., Asensio, J.L., Hermoso, J.A., Salas, M., Meijer, W.J.
Journal of Biological Chemistry (2005) 280, 42486-42489  (doi:10.1074/jbc.C500429200)

The structure of the Arabidopsis thaliana SOS3: molecular mechanism of sensing calcium for salt stress response
Sánchez-Barrena, M.J., Martínez-Ripoll, M., Zhu, J.K. and Albert, A.
Journal of Molecular Biology (2005) 345, 1253-1264   (doi:10.1016/j.jmb.2004.11.025)

Rat liver betaine homocysteine S-methiltransferase equilibrium unfolding: Insights into intermediate structure through tryptophan substitutions
Garrido, F., Gasset, M., Sanz-Aparicio, J., Alfonso, C. and Pajares, M.A.
Biochemical Journal (2005) 391, 589-599



2004

ESCRT-II, an endosome-associated complex required for protein sorting: crystal structure and interactions with ESCRT-III and membranes
Teo H., Perisic O., González B. and Williams R.L.
Developmental Cell (2004) 7, 559-569 
(doi:10.1016/j.devcel.2004.09.003)

The structure of human inositol 1,4,5-trisphosphate 3-kinase: The substrate binding reveals why it is not a phosphoinositide 3-kinase
González B., Schell M.J., Letcher, A.J., Veprintsev, D.B., Irvine R. and Williams R.L.
Molecular Cell (2004) 15,689-701  
(doi:10.1016/j.molcel.2004.08.004)

SOS3 (salt overlay sensitive 3) from Arabidopsis thaliana: expression, purification, crystallization and preliminary X-ray analysis
Sánchez-Barrena, M.J., Martínez-Ripoll, M., Zhu, J.K. and Albert, A.
Acta Crystallographica (2004) D60, 1272-1274   (doi:10.1107/S0907444904008728)

Structure of concanavalin A at pH 8: bound solvent and crystal contacts
Lopez-Jaramillo FJ, Gonzalez-Ramirez LA, Albert A, Santoyo-Gonzalez F, Vargas-Berenguel A, Otalora F
Acta Crystallographica (2004) D60, 1048-1046  (doi:10.1107/S0907444904007000)

Peptide AS-48: prototype of a new class of cyclic bacteriocins
Maqueda M, Galvez A, Bueno MM, Sanchez-Barrena MJ, Gonzalez C, Albert A, Rico M, Valdivia E.
Current Protein and Peptide Science (2004) 5, 399-416   (doi:10.2174/1389203043379567)

Crystallization and preliminary crystallographic analysis of a novel haemolytic lectin from the mushroom Laetiporus sulphureus
Mancheño, J.M., Hiroaki, T., Goldstein, I.J. and Hermoso, J.A.
Acta Crystallographica (2004) D60, 1139-1141  (doi:10.1107/S0907444904007991)

Crystallization of a proteolyzed form of the horse pancreatic lipase-related protein 2: structural basis for the specific detergent requirement
Mancheño, J.M., Jayne, S., Kerfelec, B., Chapus, C., Crenon, I. and Hermoso, J.A.
Acta Crystallographica (2004) D60, 2107-2109  (doi:10.1107/S0907444904024229)

Crystallization and preliminary X-ray diffraction analysis of ferredoxin-NADP(H) reductase from Rhodobacter capsulatus
Perez-Dorado. I., Bittel, C., Cortez, N. and Hermoso, J.A.
Acta Crystallographica (2004) D60, 2332-2335  (doi:10.1107/S090744490402640X)

Stabilization of Penicillin G Acylase from Escherichia coli: Site-Directed Mutagenesis of the Protein Surface To Increase Multipoint Covalent Attachment
Abian, O., Grazu, V., Hermoso, J.A., Gonzalez, R., Garcia, J.L., Fernandez-Lafuente, R. and Guisan, J.M.
Applied and Environmental Microbiology (2004) 70, 1249-1251  (doi:10.1128/AEM.70.2.1249-1251.2004)

Phenotypic selection and characterization of randomly produced non-haemolytic mutants of the toxic sea anemone protein Sticholysin II
Alegre-Cebollada, J, Lacadena, V, Oñaderra, M, Mancheño, JM, Gavilanes JG, Martínez del Pozo, A
FEBS Lett. (2004) 575, 14-18  (doi:10.1016/j.febslet.2004.08.031)

The Crystal Structure of Feruloyl Esterase A from Aspergillus niger Suggests Evolutive Functional Convergence in Feruloyl Esterase Family
Hermoso, J.A., Sanz-Aparicio, J., Molina, R., Juge, N., Gonzalez, R. and Faulds, C.B.
Journal of Molecular Biology (2004) 338, 495-506  (doi:10.1016/j.jmb.2004.03.003)

Functional characterization of the yeast Ppz1 phosphatase inhibitory subunit Hal3: a mutagenesis study
Muñoz, I, Ruiz, A, Marquina, M, Barcelo, A, Albert, A, Ariño, J.
Journal of Biological Chemistry (2004) 279, 42619-42627  (doi:10.1074/jbc.M405656200)



2003

Estructura de proteínas por Cristalografía de rayos X
Hermoso, J.A. y Martínez-Ripoll, M.
in Estructura de proteínas (2003). Gómez-Moreno, C. and Sancho Sanz, J., coord., Ariel Ciencia, ISBN: 84-344-8061-6, pp. 253-285

Crystallization and preliminary X-ray diffraction studies of two different crystal forms of the lipase 2 isoform from the yeast Candida rugosa
José M. Mancheño, María A. Pernas, María L. Rúa and J.A. Hermoso
Acta Crystallographica (2003) D59, 499-501  (doi:10.1107/s0907444902022539)

Structural aspects on rat liver S-adenosylmethionine synthesis
Pajares, M.A., Gasset, M., Sanz-Aparicio, J., Calvete, J.J. and Rodriguez Arrondo, J.L.
Advances in Biological Chemistry (2003) 2, 31-41

Active-site-mutagenesis study of rat liver betaine-homocysteine S-methyltransferase
González, B., Campillo, N., Garrido, F., Gasset, M., Sanz-Aparicio, J. and Pajares, M.A.
Biochem. J. (2003) 370, 945-952

Involvement of the Pyrophosphate and 2'-Phosphate Binding Regions of Ferredoxin-NADP+ Reductase in Coenzyme Specificity
Jesús Tejero, Marta Martínez-Júlvez, Tomás Mayoral, Alejandra Luquita, J. Sanz-Aparicio, Juan A. Hermoso, John K. Hurley, Gordon Tollin, Carlos Gómez-Moreno and Milagros Medina
Journal of Biological Chemistry (2003), 278(49), 49203-49214  (doi:10.1074/jbc.M307934200)

Structure of Bacteriocin AS-48: From Soluble State to Membrane Bound State
Sánchez-Barrena, M.J., Martinez-Ripoll, M., Gálvez, A., Valdivia, E., Maqueda, M., Cruz, V. and Albert, A.
Journal of Molecular Biology (2003) 334, 541-549   (doi:10.1016/j.jmb.2003.09.060) 

Structural Insights into the Lipase/esterase Behavior in the Candida rugosa Lipases Family: Crystal Structure of the Lipase 2 Isoenzyme at 1.97 A Resolution
Mancheño, J.M., Pernas, M.A., Martínez, M.J., Ochoa, B., Rúa, M.L. and Hermoso, J.A.
Journal of Molecular Biology (2003) 332, 1059-1069

Crystal Structures of Methionine Adenosyltransferase complexed with Substrates and Products Reveal the Methionine-ATP Recognition and give Insights into the Catalytic Mechanism
B. González, M. Pajares, Juan A. Hermoso, D. Guillerm, G. Guillerm & J. Sanz-Aparicio
Journal of Molecular Biology (2003) 331, 407-416  (doi:10.1016/s0022-2836(03)00728-9) 

Structural Basis for Selective Recognition of Pneumococcal Cell Wall by Modular Endolysin from Phage Cp-1
Hermoso, J.A., Monterroso, B., Albert, A., Galán, B., Ahrazem, O., García, P., Martínez-Ripoll, M., García, J.L., and Menéndez, M.
Structure (2003) 11, 1239-1249

Crystal and Electron Microscopy Structures of Sticholysin II Actinoporin Reveal Insights into the Mechanism of Membrane Pore Formation.
Mancheño, J.M., Martín-Benito, J., Martínez-Ripoll, M., Gavilanes, J.G. and Hermoso, J.A.
Structure (2003) 11, 1319-1328



2002

Crystallization and preliminary X-ray study of recombinant betaine-homocysteine S-methyltransferase from rat liver
González, B., Pajares, M.A., Too, H.-P., Garrido, F., Blundell, T.L. and Sanz-Aparicio, J.
Acta Crystallographica (2002) D58, 1507-1510

Crystallization and preliminary X-ray diffraction studies of the complete modular endolysin from Cp-1, a phage infecting Streptococcus pneumoniae
Monterroso, B., Albert, A., Martínez-Ripoll, M., García, P., García, J.L., Menéndez, M. and Hermoso, J.A.
Acta Crystallographica (2002) D58, 1487-1489

Crystallization and preliminary X-ray diffraction studies of the water-soluble state of the pore-forming toxin sticholysin II from the sea anemone Stichodactyla helianthus
Mancheño, J.M., Martínez-Ripoll, M., Gavilanes, J.G. and Hermoso, J.A.
Acta Crystallographica (2002) D58, 1229-1231

Activation of Horse PLRP2 by Bile Salts does not require Colipase
Sandrine Jayne, B. Kerfelec, E. Foglizzo, S. Granon, Juan A. Hermoso, C. Chapus and I. Crenon
Biochemistry (2002. 41, 8422-8428  (doi:10.1021/bi025867j)

Structural basis for the kinetics of Candida rugosa Lip1 and Lip3 isoenzymes
Pernas, M., López, C., Prada, A., Hermoso, J. and Rúa, M.L.
Colloids and Surfaces B: Biointerfaces. (2002) 26, 67-74  (doi:10.1016/S0927-7765(01)00309-5)

Probing the Role of the Glutamic 139 Residue in Anabaena Ferredoxin-NADP+ Reductase in its interaction with substrates
Merche Faro, Susana Frago, Tomás Mayoral, Juan A. Hermoso, J. Sanz-Aparicio, Carlos Gómez-Moreno, and Milagros Medina
European Journal of Biochemistry (2002) 269, 4938-4947  (doi:10.1046/j.1432-1033.2002.03194.x)

TrwD, the Hexameric Traffic ATPase Encoded by Plasmid R388, Induces Membrane Destabilization and Hemifusion of Lipid Vesicles
Machón, C., Rivas, S., Albert, A., Goñi, F.M. and de la Cruz, F.
Journal of Bacteriology (2002) 184, 1661-1668

Mechanism of Coenzyme Recognition and Binding Revealed by Crystal Structure Determination of Ferredoxin-NADP+ Reductase Complexed with NADP+
Juan A. Hermoso, Tomás Mayoral, Merche Faro, Carlos Gómez-Moreno, J. Sanz-Aparicio and Milagros Medina
Journal of Molecular Biology (2002) 319, 1133-1142  (doi:10.1016/S0022-2836(02)00388-1) 

Estructural Enzymology of Li+-sensitive/Mg2+-dependent Phosphatases
Patel, S., Martinez-Ripoll, M., Blundell, T.L. and Albert, A.
Journal of Molecular Biology (2002) 320, 1087-1094



2001

Probing the Determinants of Coenzyme Specificity in Ferredoxin-NADP+ Reductase by Site-directed Mutagenesis
Medina M, Luquita A, Tejero J, Hermoso J, Mayoral T, Sanz-Aparicio J, Grever K, Gomez-Moreno C
Journal of Biological Chemistry (2001) 276(15), 11902-11912  (doi:10.1074/jbc.M009287200) 

Role of a Cluster of Hydrophobic Residues Near the FAD Cofactor in Anabaena PCC 7119 Ferredoxin-NADP+ Reductase for Optimal Complex Formation and Electron Transfer to Ferredoxin
Marta Martínez-Júlvez, Isabel Nogués, Merche Faro, John K. Hurley, Tammy B. Brodie, Tomás Mayoral, J. Sanz-Aparicio, Juan A. Hermoso, Marian Stankovich Milagros Medina, Gordon Tollin and Carlos Gómez-Moreno
Journal of Biological Chemistry (2001) 276(29), 27498-27510  (doi:10.1074/jbc.M102112200) 

Regioselective Resolution of 1,n-Diols Catalysed by Lipases: A Rational Explanation oF the Enzymatic Selectivity
I. Borreguero, J.M. Sanchez-Montero, J.V. Sinisterra, A. Rumbero, J.A. Hermoso and A.R. Alcantara
Journal of Molecular Catalysis B: Enzymatic (2001) 11, 1013-1024  (doi:10.1016/S1381-1177(00)00086-2)

Influence of the conformational flexibility on the kinetics and dimerisation process of two Candida rugosa lipase isoenzymes
Pernas, M.A., López, C., Rúa, M.L. and Hermoso, J.
FEBS Letters (2001) 501, 87-91
 


2000

The X-ray Structure of the FMN-binding Protein AtHal3 Provides the Structural Basis for the Activity of a Regulatory Subunit Involved in Signal Transduction
Albert, A., Martinez-Ripoll, M., Espinosa-Ruiz, A., Yenush, L., Culiañez-Macia, F.A. and Serrano, R.
Structure (2000) 8, 961-969

Critical Role of Micelles in Pancreatic Lipase Activation Revealed by Small Angle Neutron Scattering
D. Pignol, L. Ayvazian, B. Kerfelec, P. Timmins, I. Crenon, J.A. Hermoso, J.C. Fontecilla-Camps and C. Chapus
Journal of Biological Chemistry (2000) 6, 4220-4224  (doi:10.1074/jbc.275.6.4220)

Direct Evolution of β-glucosidase A from Paenibacillus polymyxa to thermal Resistance
G. González-Blasco, J. Sanz-Aparicio, J. Hermoso and J. Polaina
Journal of Biological Chemistry (2000) 275(18), 13708-13712  (doi:10.1074/jbc.275.18.13708) 

X-ray structure of yeast Hal2p, a major target of lithium and sodium toxicity, and identification of framework interactions determining cation sensitivity
Albert, A., Yenush, L., Gil-Mascarell, M.R., Rodriguez, P.L., Patel, S., Martinez-Ripoll, M., Blundell, T.L. and Serrano, R.
Journal of Molecular Biology (2000) 295, 927-938

The Crystal Structure of Tetrameric Methionine Adenosyltransferase from rat liver Reveals the Methionine Binding-site
B. González, M. Pajares, Juan A. Hermoso, L. Alvarez, F. Garrido and J. Sanz-Aparicio
Journal of Molecular Biology (2000) 300, 363-375  (doi:10.1006/jmbi.2000.3858) 

Structural Basis of the catalytic Role of Glu301 in Anabaena PCC7119 Ferredoxin-NADP+ Reductase Revealed by X-Ray Crystallography
T. Mayoral, M. Medina, J. Sanz-Aparicio, C. Gomez-Moreno and J. Hermoso
Proteins: Structure, Function and Genetics (2000) 38, 60-69  (doi:10.1002/(SICI)1097-0134(20000101)38:1<60::AID-PROT7>3.0.CO;2-B) 

Biochemical and Physical Characterization of Parvovirus Minute Virus of Mice Virus-like Particles
Hernando, E., Llamas-Saiz, A.L., Foces-Foces, C., McKenna, R., Portman, I., Agbandje-McKenna, M. and Almendral, J.M.
Virology (2000) 267, 299-309



 
1999

Making the most of commercial sparse-matrix protein crystallization screening kits
Albert, A. and Martinez-Ripoll, M.
Journal of Applied Crystallography (1999) 32, 336-338

Molecular study of the rat liver NADH: Cytochrome c oxidoreductase complex during development and ageing
Torres-Mendoza, C., Albert, A. and Cruz Arriaga, M.
Molecular and Cellular Biochemistry (1999) 195, 133-142

A six-stranded double-psi beta barrel is shared by several protein superfamilies
Castillo, R.M., Mizuguchi, K., Dhanaraj, V., Albert, A., Blundell, T.L. and Murzin, A.G.
Structure (1999) 7, 227-236

Acyclic Phenylalkanediols as Substrates for the study of Enzyme recognition: Part II: Regioselective Acylation by by Porcine Pancreatic Lipase: A structural Hypothesis of the Enzymatic Selectivity
I. Borreguero, J.V. Sinisterra, A. Rumbero, J.A. Hermoso, M. Martínez-Ripoll and A.R. Alcantara
Tetrahedron (1999) 55, 14961-14974  (doi:10.1016/S0040-4020(99)00942-4)

Synthesis, structure and redox properties of ruthenium complexes containing the tpm facial and the trpy meridional tridentate ligands: Crystal structures of [RuCl3(trpy)] and [Ru(tpm)(py)3](PF6)2
Laurent, F., Plantalech, E., Donnadieu, B., Jiménez, A., Hernández, F., Martínez-Ripoll, M., Biner, M. and Llobet, A.
Polyhedron (1999) 18, 3321-3331




1998

Crystal structure of aspartate decarboxylase at 2.2 Å resolution provides evidence for an ester in protein self-processing
Albert, A., Dhanaraj, V., Genschel, U., Khan, G., Ramjee, M.K., Pulido, R., Sibanda, B.L., von Delft, F., Witty, M., Blundell, T.L., Smith, A.G. and Abell, C.
Nature Structural and Molecular Biology (1998) 5, 289-293  (doi:10.1038/nsb0498-289)

Pancreatic Lipase related proteins type I: a double mutation restores a significant lipase activity
I. Crenon , S. Jayne, B. Kerfelec, J. Hermoso, D. Pignol and C. Chapus
Biochemical and Biophysical Research Communications (1998) 246, 513-517  (doi:10.1006/bbrc.1998.865

Role of the R100 and R264 from Anabaena PCC7119 Ferredoxin-NADP+ Reductase for Optimal NADP+ binding and electron transfer
Marta Martínez-Julvez, Juan A. Hermoso, John Hurley, Tom s Mayoral, J. Sanz-Aparicio, Gordon Tollin, Carlos Gómez-Moreno and Milagros Medina
Biochemistry (1998) 37(51), 17680-17691  (doi:10.1021/bi981718i)

The lipase/colipase complex is activated by a micelle: neutron crystallographic evidence
D. Pignol, J. Hermoso , B. Kerfelec, I. Crenon, C. Chapus and J.C. Fontecilla-Camps
Chemistry and Physics of Lipids (1998) 93, 123-129  (doi:10.1016/s0009-3084(98)00036-x)

Ion pairing between lipase and colipase plays a critical role in catalysis
L. Ayvazian, I. Crenon, J. Hermoso, D. Pignol, C. Chapus and B. Kerfelec
Journal of Biological Chemistry (1998) 273(50), 33604-33609  (doi:10.1074/jbc.273.50.33604)
 

Crystal Structure of β-Glucosidase A from Bacillus polymyxa: Insights into the Catalytic Activity in Family 1 Glycosyl Hydrolases

Sanz-Aparicio, J., Hermoso, J.A., Martinez-Ripoll, M., Lequerica, J.L. and Polaina, J.
Journal of Molecular Biology (1998) 275, 491-502  (doi:10.1006/jmbi.1997.1467)

Pancreatic Lipase related proteins type I: specialized lipase or an inactive enzyme
I. Crenon , E. Flogizzo, B. Kerfelec, A. Virine, D. Pignol, J. Hermoso, J. Bonicel and C. Chapus
Protein Engineering (1998) 112, 135-142  (doi:10.1093/protein/11.2.135)
 

Structural basis of increased resistence to thermal denaturation induced by single aminoacid substitution in the sequence of β-glucosidase A from Bacillus polymyxa
J. Sanz-Aparicio, J. Hermoso, M. Martínez-Ripoll, B. González, C. López-Camacho and J. Polaina
Proteins: Structure, Function and Genetics (1998) 33, 567-576  (doi:10.1002/(SICI)1097-0134(19981201)33:4<567::AID-PROT9>3.0.CO;2-U)


Functional implications of the structure of the murine parvovirus, minute virus of mice
Agbandje-McKenna, M., Llamas-Saiz, A.L., Wang, F., Tattersall, P. and Rossmann, M.G.
Structure (1998) 6, 1369-1381

Amide complexes of zirconium, rhodium, and iridium: Synthesis and reactivity. X-ray crystal structures of (η5-C5H5)2Zr(NHC6H4-o-SMe)2 and [Rh(μ-SC6H4-o-NHMe)(COD)]2
Fandos, R., Martínez-Ripoll, M., Otero, A., Ruiz, M.J., Rodríguez, A. and Terreros, P.
Organometallics (1998) 17, 1465-1470

Enantiomerically Pure α-Alkylidene β-Amino Esters from Assymetric Addition of Metal Dienolates to N-Sulfinylimines
Garcia-Ruano, J.L., Fernandez, I., del Prado Catalina, M., Hermoso, J.A., Sanz-Aparicio, J. and Martinez-Ripoll, M.
Journal of Organic Chemistry (1998) 63, 7157-7161
 


1997

Structure Determination of Minute Virus of Mice
Llamas-Saiz, A.L., Agbandje-McKenna, M., Wikoff, W.R., Bratton, J., Tattersall, P. and Rossmann, G.
Acta Crystallographica (1997) D53, 93-102

Purification, Crystallization and Preliminary X-ray Diffraction Studies of C-Phycocyanin and Allophycocyanin from Spirulina platensis
Moreno, A., Bermejo, R., Talavera, E., Alvarez-Pez, J.M., Sanz-Aparicio, J. and Romero, A.
Acta Crystallographica (1997) D53, 321-326

Aspartic proteinases: From the first X-ray photos of pepsin crystals to hundreds of 3-D structures
Blundell, T.L., Guruprasad, K., Albert, A., Williams, M., Sibanda, B.L. and Dhanaraj, V.
Current Science (1997) 72, 483-489

Neutron Crystallographic Evidence of Lipase/Colipase Complex activation by a Micelle
J. Hermoso, D. Pignol, S. Penel, M. Roth, C. Chapus and J.C. Fontecilla-Camps
EMBO Journal (1997) 16(18), 5531-5536  (doi:10.1093/emboj/16.18.5531)
 

The crystal structure of Canavalia brasiliensis lectin suggest a correlation between its quaternary conformation and its distinct biological properties from concanavalin A
J. Sanz-Aparicio, J. Hermoso, B. Grangeiro, J.J. Calvete and S.C. Cavada. T.
FEBS Letters (1997) 405, 114-118  (doi:10.1016/s0014-5793(97)00137-3)


Packing Modes in Nitrobenzene Derivatives. I. The Single Stacks
Andre, I., Foces-Foces, C., Cano, F.H. and Martinez-Ripoll, M.
Acta Crystallographica (1997) B53, 984-995

Packing Modes in Nitrobenzene Derivatives. II. The 'Pseudo-Herringbone' Mode
Andre, I., Foces-Foces, C., Cano, F.H. and Martinez-Ripoll, M.
Acta Crystallographica (1997) B53, 996-1005

A New Polymorph of Li4P2O7
Daidouh, A., Veiga, M.L., Pico, C. and Martinez-Ripoll, M.
Acta Crystallographica (1997) C53, 167-169

Strain Effects in Protonated Carbonyl Compounds. An Experimental and ab Initio Treatment of Acyclic Carboxamides and Ketones
Homan, H., Herreros, M., Notario, R., Abboud, J.L., Essefar, M., Mo, O., Yanez, M., Foces-Foces, C., Ramos-Gallardo, A., Martinez-Ripoll, M., Vegas, A., Molina, M.T., Casanovas, J., Jimenez, P., Roux, M.V. and Turrion, C.
Journal of Organic Chemistry (1997) 62, 8503-8512

Sulfur-Directed Asymmetric 1,3-Dipolar Cycloadditions of Azomethine Ylides with Enantiopure Sulfinimines
Viso, A., Fernandez, R., Guerrero-Strachan, C., Alonso, M., Martinez-Ripoll, M. and Andre, I.
Journal of Organic Chemistry (1997) 62, 2316-2317

Polymorphism in an oligo(aryl ether ketone)
Rueda, D.R., Zolotukhin, M.G., Andre, I., Martinez-Ripoll, M., Abajo, J. and Alvarez, J.C.
Macromolecular Chemistry and Physics (1997) 198, 2089–2099  (doi:10.1002/macp.1997.021980707) 

Organoammonium diphosphopentamolybdates (VI): influence of organic cations and anion protonation on crystal packing and geometrical features of polyanion
Aranzabe, A., Wery, A., Martin, S., Gutierrez-Zorrilla, J.M., Luque, A., Martinez-Ripoll, M. and Roman, P.
Inorganica Chimica Acta (1997) 255, 35-45

Rhodium(I) fluorothiolate complexes as hydroformylation catalyst precursors. Crystal structure of two polymorphs of trans-[Rh(SC6F5)(CO)(PPh3)2]
Garcia-Fierro, J.L., Martinez-Ripoll, M., Merchan, M.D., Rodriguez, A., Terreros, P., Torrens, P. and Vivar-Cerrato, M.A.
Journal of Organometallic Chemistry (1997) 544, 243-255

Configurational and Conformational Study of New Esters Derived from 2-Methyl-2- azabicyclo[2.2.2] octan-5-syn(anti)-ols by NMR spectroscopy and X-ray Crystallography
Fernandez, M.J., Huertas, R., Toledano, M.S., Galvez, E., Server-Carrio, J. and Martinez-Ripoll, M.
Magnetic Resonance in Chemistry (1997) 35, 821-828

10H+-2,3-Benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione Picrate Hydrate (1/1/1)
G. Hundal, S. Kumar, M.S. Hundal, H. Singh, J. Sanz-Aparicio and M. Martinez-Ripoll
Acta Crystallographica (1997) C53, 799-801  (doi:10.1107/S0108270196015041)



1996

Lipase Activation by Nonionic Detergents: The crystal structure of porcine lipase-colipase-tetraethylene glycol monooctyl ether complex
J. Hermoso, D. Pignol, B. Kerfelec, I. Crenon, C. Chapus and J. Fontecilla-Camps
Journal of Biological Chemistry (1996) 271(30), 18007-18016  (doi:10.1074/jbc.271.30.18007)
 

Protein engineering loops in aspartic proteinases: site-directed mutagenesis, biochemical characterization and X-ray analysis of chymosin with a replaced loop from rhizopuspepsin
Nugent, P.G., Albert, A., Orprayoon, P., Pitts, J.E., Blundell, T.L. and Dhanaraj, V.
Protein Engineering (1996) 9, 885-893

Structural Analysis of a Mutation in Canine Parvovirus Which Controls Antigenicity and Host Range
Llamas-Saiz, A.L., Agbandje-Mckenna, M., Parker, J.S.L., Wahid, A.T.M., Parrish, C.R. and Rossmann, M.G.
Virology (1996) 225, 65-71

An 18-chloro-4α-hydroxy derivative of 19-acetylteupolin IV: A neo-clerodane diterpenoid of biological interest
Hundal, G. and Martinez-Ripoll, M.
Acta Crystallographica (1996) C52, 3157-3159

Structure-Based Rationalization of the Ionophore Character of Lead-Selective Amide-Ether-Amine-Containing Macrocycles: 2,3-Benzo-1,4-dioxa-7,11,15-triazacyclo heptadec-2-ene-6,16-dione and 2,3-Benzo-1,4-dioxa-7,10,13 triazacyclopentadec-2-ene 6,14-dione
Hundal, G., Martínez-Ripoll, M., Sanz-Aparicio, J., Hundal, M.S., Singh, H., Kumar, S. and Singh, R.
Acta Crystallographica (1996) C52, 1232-1236

Bis(triethanolamine)calcium 3,5-Dinitro-benzoate
Hundal, G., Martínez-Ripoll, M., Hundal, M.S. and Poonia, N.S.
Acta Crystallographica (1996) C52, 789-792

Dimeric Aqua(3,5-dinitrobenzoato)(triethyl-eneglycol)calcium(II) 3,5 Dinitrobenzoate Hydrate
Hundal, G., Martínez-Ripoll, M., Hundal, M.S. and Poonia, N.S.
Acta Crystallographica (1996) C52, 786-789

Apiananes: C23 Terpenoids with a New Type of Skeleton from Salvia apiana
Luis, J.G., Lahlou, E.H., Andres, L.S., Hundal, G. and Martínez-Ripoll, M.
Tetrahedron Letters (1996) 37, 4213-4216

New Models for the Study of the Racemization Mechanism of Carbodiimides. Synthesis and Structure (X-ray Crystallography and 1H NMR) of  Cyclic Carbodiimides
Molina, P., Alajarin, M., Sanchez-Andrada, P., Server-Carrió, J., Martínez-Ripoll, M., Anderson, J.E., Jimeno, M.L. and Elguero, J.
Journal of Organic Chemistry (1996) 61, 4289-4299

ansa-Niobocene Complexes: Synthesis and Characterization of Novel Complexes [Me2Si(η5-C5H4)2] NbCl2 and [Me2Si(η5-C5H4)2]NbCl(RC-CR) (R=Me,Ph). Xray Crystal Structure of [Me2Si(η5-C5H4)2] NbCl(MeC-CMe)
Antiñolo, A., Martínez-Ripoll, M., Mugnier, Y., Otero, A., Prashar, S. and Rodriguez, A.M.
Organometallics (1996) 15, 3241-3243  (doi:10.1021/om960275g)

Synthetic Ionophores. 13. Pyridine-Diamide-Diester Receptors: Remarkable Effect of Amide Substi-tuents on Molecular Organization and Ag+ Selectivity
Kumar, S., Hundal, M., Kaur, N., Singh, R., Singh, H., Hundal, G., Martínez-Ripoll, M. and Sanz-Aparicio, J.
Journal of Organic Chemistry (1996) 61, 7819-7825  (doi:10.1021/jo960859s)

Steroselective Nucleophilic Epoxidation of Hydroxy Vinyl Sulfoxide Derivatives
Fernández de la Pradilla, R., Manzano, P., Priego, J., Viso, A., Martínez-Ripoll, M. and Rodríguez, A.
Tetrahedron Letters (1996) 37, 6793-6796  (doi:10.1016/S0040-4039(96)01481-5)

Diastereoselective Formation of an [μ4-(1Z)-Sulfinyl diene]iron(0) Tricarbonyl Complex. Diastereo-selective Allylation of the Derived Iron Dienal
Paley, R.S., Rubio, M.B., Fernández de la Pradilla, R., Dorado, R., Hundal, G. and Martínez-Ripoll, M.
Organometallics (1996) 15, 4672-4674  (doi:10.1021/om960654+)

Synthesis and structural study of [{Pd(C6H4CH2N(CH3)2)}2(μ-Br)(μ-X)] complexes (X = hydroxide, amide or thiolate)
Ruiz, J., Cutillas, N., Sampedro, J., López, G., Hermoso, J.A. and Martínez-Ripoll, M.
Journal of Organometallic Chemistry (1996) 526, 67-72  (doi:10.1016/S0022-328X(96)06520-5)

An 18-chloro-4α-hydroxy derivative of 19-acetylteupolin IV: A neo-clerodane diterpenoid of biological interest
Hundal, G. and Martinez-Ripoll, M.
Acta Crystallographica (1996) C52, 3157-3159  (doi:10.1107/S0108270196009110)

Influence of protonation on crystal packing and thermal behaviour of tert-butylammonium decavanadates
Wery, A.S.J., Gutierrez-Zorrilla, J.M., Luque, A., Roman, P. and Martinez-Ripoll, M.
Polyhedron (1996) 15, 4555-4564  (doi:10.1016/0277-5387(96)00186-6)




1993-1995

Cristalografía

Cano, F.H., Foces-Foces, C. and Martínez-Ripoll, M. (eds.)
Serie: Nuevas Tendencias (1995). CSIC  (link to the book)

Macromoléculas biológicas: Estructura tridimensional

Martínez-Ripoll, M., Romero, A. and Sanz-Aparicio, J.
Investigación y Ciencia (1995) 222, 83-84  (link to the journal)

A New Approach to Structure Resolution by Molecular Dynamics: Variable Force Constants Strategy
D. Tranqui, J.A. Hermoso, M. Averbuch ,G. Tamagnan, G. Leclerc.and M. Cussac
Acta Crystallographica (1995) B51, 76-80  (doi:10.1107/S010876819400827X)


Crystallizacion and Preliminary X-ray Diffraction Analysis of a Type I β-Glucosidase Encoded by the bglA Gene of Bacillus polymyxa
Sanz-Aparicio, J., Romero, A., Martínez-Ripoll, M., Madarro, A., Flors, A. and Polaina, J.
Journal of Molecular Biology (1994) 240, 267-270  (doi:10.1006/jmbi.1994.1441)

The Use of Protein Homologues in the Rotation Function
Aguilar, C.F., Newman, M.P., Sanz-Aparicio, J., Cooper, J.B., Tickle, I.J. and Blundell, T.L.
Acta Crystallographica (1993) A49, 306-315   (doi:10.1107/S010876739200847X)





Facilities

The department is very well equipped with a wide range of crystallographic and computing equipment, wet laboratories and dedicated facilities for protein production, protein characterisation, protein crystallization, X-ray diffraction and computing. A summary of all these facilities can be obtained through this link.

Moreover (although only written in Spanish) some protocols for the labs of protein production and molecular biology can be obtained through this link.



Protein production and Molecular Biology Laboratories

Laboratory for protein production
Laboratory for protein production

Biomol lab
Molecular Biology Lab



Crystallization Laboratory

Crystallization lab
Crystallization Lab

Crystallization platform
Crystallization platform

Crystallization robot
Crystallization robot

Crystal-farm
Crystal-Farm



X-ray Diffraction Laboratory

Kappa goniometer with CCD and rotating anode
Kappa goniometer with CCD and rotating anode with mirrors

Imaging plate mounted on a rotating anode with mirrors
Imaging plate mounted on a rotating anode with mirrors

Kappa goniometer and Photon detector
Kappa goniometer with Photon detector and X-ray micro-source



Computing Laboratory

Graphic computers

Graphic computers
Graphic computers with stereoview



In addition, there are several low and high pressure chromatography systems and a large number of different chromatographic matrices for optimal protein purification. Analytical techniques, including electrophoresis are also available in the lab, which combined with access to mass spectrometry and analytical ultracentrifugation are used to assess the quality of the proteins produced. In addition, through our links with remaining groups of the Institute, we have access to isothermal titration calorimetry, Nuclear Magnetic Resonance, analytical ultracentrifugation and MALDI-TOF mass spectrometry.

Biochemical studies and assays can be performed using a number of techniques, such as UV-VIS and CD-spectroscopies, microcalorimetry and fluorimetry.

The ultimate goal is to provide a regular supply of crystals for X-ray crystallographic structure determination. Success in this aim is aided by the presence of a number of temperature-controlled incubators, high-throughput facilities and dedicated crystallisation rooms.