Publications  (first or co-first authorship underlined; corresponding or co-corresponding authorship with asterisk)
Rafael Molina Monterrubio


Verification: model-free phasing with enhanced predicted models in ARCIMBOLDO_SHREDDER
Ana Medina, Elisabet Jiménez, Iracema Caballero, Albert Castellví, Josep Triviño Valls, Martin Alcorlo, Rafael Molina, Juan A. Hermoso, Massimo D. Sammito, Rafael Borges and Isabel Usón
Acta Crystallographica (2022) D78, 1-11  (doi: 10.1107/S2059798322009706)

Molecular basis of cyclic tetra-oligoadenylate processing by small standalone CRISPR-Cas ring nucleases
Rafael Molina*, Ricardo Garcia-Martin, Blanca López-Méndez, Anne Louise Grøn Jensen, J Rafael Ciges-Tomas, Javier Marchena-Hurtado, Stefano Stella, Guillermo Montoya*
Nucleic Acids Research (2022)   (doi: 10.1093/nar/gkac923)

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)

Structural basis of cyclic oligoadenylate degradation by ancillary Type III CRISPR-Cas ring nucleases
Rafael Molina*; Anne Louise Grøn Jensen; Javier Marchena Hurtado; Blanca Lopez Mendez; Stefano Stella; Guillermo Montoya*
Nucleic Acids Research (2021) 49, 12577–12590  
(doi: 10.1093/nar/gkab1130)

Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus, an essential component of the divisome machinery
Siseth Martinez Caballero; Kiran Mahasenan; Choon Kim; Rafael Molina; Rhona Fletzer; Mijoon Lee; Renee Bouley; Dusan Hesek; Jed Fisher; Ines Muñoz; Mayland Chang; Shahriar Mobashery*; Juan Hermoso*
Computational and Structural Biotechnology Journal (2021) 19, 5392-5405  
(doi: 10.1016/j.csbj.2021.09.018)

Crystal structure and pathophysiological role of the pneumococcal nucleoside-binding protein PnrA
Mohammed R Abdullah; Maria 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 (2020) 338, 495–506  (doi: 10.1016/j.jmb.2020.11.022)

Structural basis of CRISPR-Cas Type III prokaryotic defence systems.
Rafael Molina
; Nicholas Sofos; Guillermo Montoya*
Current Opinion in Structural Biology (2020) 65, 119–129  (doi: 10.1016/j.sbi.2020.06.010)

Structure of Csx1-cOA4 complex reveals the basis of RNA decay in Type III-B CRISPR-Cas
Rafael Molina; Stefano Stella; Mingxia Feng; Nicholas Sofos; Vykintas Jauniskis; Irina Pozdnyakova; Blanca Lopez-Mendez; Qunxin She; Guillermo Montoya*
Nature Communications (2019) 10, 4302  (doi: 10.1038/s41467-019-12244-z)

Understanding the indirect DNA read-out specificity of I-CreI Meganuclease
Jesus Prieto; Pilar Redondo; Blanca Lopez-Mendez; Marco D' Abramo; Nekane Merino; Francisco J. Blanco; Philippe Duchateau; Guillermo Montoya; Rafael Molina*
Scientific Reports (2018). 8, 10286   (doi: 10.1038/s41598-018-28599-0)

Three-dimensional structures of Lipoproteins from Streptococcus pneumoniae and Staphylococcus aureus
Sergio Galan Bartual; Martin Alcorlo; Siseth Martinez-Caballero; Rafael Molina; Juan A. Hermoso*
International Journal of Medical Microbiology (2018) 308, 692-704  (doi: 10.1016/j.ijmm.2017.10.003)

Structure and Dynamics of Mesophilic Variants from the Homing Endonuclease I-DmoI
Josephine Alba; Maria J. Marcaida; Jesus Prieto; Guillermo Montoya; Rafael Molina*; Marco D'Abramo*
Journal of Computer-Aided Molecular Design (2017) 31, 1063–1072   (doi: 10.1007/s10822-017-0087-5)

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

Carbohydrate Recognition and Lysis by Bacterial Peptidoglycan Hydrolases
Martin Alcorlo; Siseth Martinez-Caballero; Rafael Molina; Juan A Hermoso*
Current Opinion in Structural Biology (2017) 44, 87–100  (doi: 10.1016/j.sbi.2017.01.001)

Conformational dynamics in penicillin-binding protein 2a of methicillin-resistant Staphylococcus aureus, allosteric communication network and enablement of catalysis
Kiran V. Mahasenan; Rafael Molina; Renee Bouley; Maria T. Batuecas; Jed F. Fisher; Juan A. Hermoso; Mayland Chang; Shahriar Mobashery*
Journal of the American Chemical Society (2017) 139, 2102–2110  (doi: 10.1021/jacs.6b12565)

Effect of DNA on the Conformational Dynamics of the Endonucleases I-DmoI as provided by molecular dynamics simulations
Alessandro Grottesi; Simone Cecconi; Rafael Molina; Marco D'Abramo*
Biopolymers (2016). 105, 898–904  (doi: 10.1002/bip.22933)

Renew or Die: The molecular mechanisms of peptidoglycan recycling and antibiotic resistance in Gram-negative pathogens
Teresa Dominguez-Gil; Rafael Molina; Martin Alcorlo; Juan 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; Juan A.Hermoso*
Microbial Drug Resistance (2016) 22, 1-7  (doi: 01/06/2016. 10.1089/mdr.2016.0083)

Structure of the I-SceI nuclease complexed with its dsDNA target and three catalytic metal ions
Jesus Prieto; Pilar Redondo; Nekane Merino; Maider Villate; Guillermo Montoya; Francisco J. Blanco; Rafael Molina*
Acta Crystallographica (2016) F72, 473 – 479  (doi: 10.1107/S2053230X16007512)

Key Players in I-DmoI Endonuclease Catalysis Revealed from Structure and Dynamics
Rafael Molina; Neva Besker; Maria Jose Marcaida; Guillermo Montoya; Jesus Prieto; Marco D'Abramo*
ACS Chemical Biology (2016) 11, 1401–1407  (doi: 10.1021/acschembio.5b00730)

Crystal structure of the homing endonuclease I-CvuI provides a new template for genome modification
Rafael Molina; Pilar Redondo; Blanca Lopez-Mendez; Maider Villate; Nekane Merino; Francisco Blanco; Julien Valton; Silvestre Grizot; Phillippe Duchateau; Jesus Prieto; Guillermo Montoya*
Journal of Biological Chemistry (2015) 290, 28727–28736  (doi: 10.1074/jbc.M115.678342)

Engineering a Nickase on the Homing Endonuclease I-DmoI Scaffold
Rafael Molina; Maria Jose Marcaida; Pilar Redondo; Marco Marenchino; Phillippe Duchateau; Marco D'Abramo; Guillermo Montoya*; Jesus Prieto*
Journal of Biological Chemistry (2015) 290, 18534–18544  (doi:  10.1074/jbc.M115.658666)

Structure of p15PAF–PCNA complex and implications for clamp sliding during DNA replication and repair
Alfredo De Biasio; Alain Ibañez de Opakua; Gulnahar Mortuza; Rafael Molina; Tiago Cordeiro; Francisco Castillo; Maider Villate; Nekane Merino; Sandra Delgado; David Gil Carton; Irene Luque; Tammo Diercks; Pau Benadó; Guillermo Montoya; Francisco Blanco*
Nature Communications (2015) 6, 1–12  (doi: https://doi.org/10.1038/ncomms7439)

Visualizing phosphodiester-bond hydrolysis by an endonuclease
Rafael Molina; Stefano Stella; Pilar Redondo; Hansel Gomez; Maria Jose Marcaida; Modesto Orozco; Jesus Prieto; Guillermo Montoya*
Nature Structural & Molecular Biology (2015) 22, 65–72  (doi: 10.1038/nsmb.2932)

BuD, a helix–loop–helix DNA-binding domain for genome modification
Stefano Stella; Rafael Molina; Blanca Lopez-Mendez; Alexandre Juillerat; Claudia Bertonati; Fayza Daboussi; Ramon Campos-Olivas; Phillippe Duchateau; Guillermo Montoya*
Acta Crystallographica (2014) D70, 2042-2052  (doi: 10.1107/S1399004714011183)

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

Crystallization and preliminary X-ray diffraction analysis of the homing endonuclease I-CvuI from Chlorella vulgaris in complex with its target DNA
Pilar Redondo; Nekane Merino; Maider Villate; Francisco J. Blanco; Guillermo Montoya; Rafael Molina*
Acta Crystallographica (2014) F70, 256-259  (doi: 10.1107/S2053230X1400065X)

Expression, purification, crystallization and preliminary X-ray diffraction analysis of the novel modular DNA-binding protein BurrH in its apo form and in complex with its target DNA
Stefano Stella; Rafael Molina; Claudia Bertonati; Alexandre Juillerat; Guillermo Montoya*
Acta Crystallographica (2013) F70, 87-91  (doi: 10.1107/S2053230X13033037)

The crystal structure of AvrBs3-DNA complex provides new insight into the initial thymine recognition mechanism
Stefano Stella; Rafael Molina; Igor Yefimenko; Jesus Prieto; George Silva; Claudia Bertonati; Alexandre Juillerat;Philippe Duchateau; Guillermo Montoya*
Acta Crystallographica (2013) D69, 1707-1716  (doi: 10.1107/S0907444913016429)

Expression, purification, crystallization and preliminary X-ray diffraction analysis of the dihydroorotase domain of human CAD
Nada Lallous; Araceli Grande-García; Rafael Molina; Santiago Ramon-Maiques*
Acta Crystallographica (2012) F68, 1341–1345  (doi: 10.1107/S1744309112038857)

5’-Cytosine-Phosphoguanine (CpG) Methylation Impacts the Activity of Natural and Engineered Meganucleases
Julien Valton; Fayza Daboussi; S Leduc; Rafael Molina; Pilar Redondo; Rachel Macmaster; Guillermo Montoya; Philippe Duchateau*
Journal of Biological Chemistry (2012). 287, 30139–30150  (doi: 10.1074/jbc.M112.379966)

Molecular scissors for in situ cellular repair
Jesus Prieto; Rafael Molina; Guillermo Montoya*
Critical Reviews in Biochemistry and Molecular Biology (2012) 47, 207-221  (doi: 10.3109/10409238.2011.652358)

Non-specific protein-DNA interactions control I-CreI target binding and cleavage
Rafael Molina; Pilar Redondo; Stefano Stella; Marco Marenchino; Marco D'Abramo; Francesco Gervasio; Jean Charles Epinat; Julien Valton; Philippe Duchateau; Jesus Prieto; Guillermo Montoya*
Nucleic Acids Research (2012) 40, 6936–6945  (doi: 10.1093/nar/gks320)

Meganucleases and Their Biomedical Applications
Rafael Molina; Guillermo Montoya; Jesus Prieto*
Encyclopedia of Life Sciences (2011) John Wiley & Sons, Ltd  (doi: 10.1002/9780470015902.a0023179)

Crystallization and preliminary crystallographic analysis of the catalytic module of endolysin Cp-7, a phage infecting Streptococcus pneumoniae
Noella Silva-Martin; Rafael Molina; Ivan Angulo; Jose Miguel Mancheño; Pedro Garcia; Juan Antonio Hermoso*
Acta Crystallographica (2010) F66, 670-673  (doi: 10.1107/S1744309110006718)

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

Crystal Structure of CbpF, a Bifunctional Choline-Binding Protein and Autolysis Regulator from Streptococcus pneumoniae
Rafael Molina; Ana Gonzalez; Meike Stelter; Inmaculada Perez-Dorado; Richard Kahn; Maria Morales; Susana Campuzano; Nuria E. Campillo; Shahriar Mobashery; Jose Luis Garcia; Pedro Garcia; Juan A. Hermoso*
EMBO Reports (2009). 10, 246–251  (doi: 10.1038/embor.2008.245)

A one-pot, simple methodology for cassette randomisation and recombination for focused directed evolution
Aurelio Hidalgo; Anna Schließmann; Rafael Molina; Juan A. Hermoso; Uwe T. Bornscheuer*
Protein Engineering, Design & Selection (PEDS) (2008) 21, 567–576  (doi: 10.1093/protein/gzn034)

Tuning of the FMN binding and oxido-reduction properties by neighboring side chains in Anabaena flavodoxin
Susana Frago; Guillermina Goñi; Beatriz Herguedas; Jose Ramon Peregrina; Ana Serrano; Inmaculada Perez-Dorado; Rafael Molina; Carlos Gomez-Moreno; Juan Antonio Hermoso; Marta Martinez-Julvez; Stephen G Mayhew; Milagros Medina*
Archives of Biochemistry and Biophysics (2007) 467, 206-217  (doi:10.1016/j.abb.2007.08.024)

Enhancement of the Stability of a Prolipase from Rhizopus oryzae toward Aldehydes by Saturation Mutagenesis
Mirella Di Lorenzo; Aurelio Hidalgo; Rafael Molina; Juan A. Hermoso; Domenico Pirozzi; 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 choline-binding protein F from Streptococcus pneumoniae
Rafael Molina; Ana Gonzalez; Miriam Moscoso; Pedro Garcia; Meike Stelter; Richard Kahn; Juan A. Hermoso*
Acta Crystallographica (2007) F63, 742-745  (doi: 10.1107/S1744309107035865)

Probing the determinants of substrate specificity of feruloyl esterase, AnFaeA, from Aspergillus niger. Craig. B Faulds; Rafael Molina; Ramon Gonzalez; F Husband; Natalie Juge; Julia Sanz-Aparicio; Juan A. Hermoso*
FEBS Journal (2005) 272, 4362–4371  (doi: 10.1111/j.1742-4658.2005.04849.x)

The crystal structure of feruloyl esterase A from Aspergillus Niger suggests evolutive functional convergence in feruloyl esterase family
Juan A. Hermoso; Julia Sanz-Aparicio; Rafael Molina; Natalie Juge; Ramon Gonzalez; Craig B. Faulds*
Journal of Molecular Biology (2004) 338, 495–506  (doi: 10.1016/j.jmb.2004.03.003)