** = Publications listed in SCI/SSCI/Pubmed
** Di, Geronimo, B; Mandl, Š; Alonso-Gil, S; Žagrović, B; Reibnegger, G; Nusshold, C; Sánchez-Murcia, PA
Digging out the Molecular Connections between the Catalytic Mechanism of Human Lysosomal α-Mannosidase and Its Pathophysiology.
J Chem Inf Model. 2025;
Doi: 10.1021/acs.jcim.4c02229
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** Mandl, S; Di Geronimo, B; Alonso-Gil, S; Grininger, C; George, G; Ferstl, U; Herzog, SA; Zagrovic, B; Nusshold, C; Pavkov-Keller, T; Sánchez-Murcia, PA
A new view of missense mutations in α-mannosidosis using molecular dynamics conformational ensembles
PROTEIN SCI. 2025; 34(4): e70080
Doi: 10.1002/pro.70080
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** Ptaszek, AL; Kratzwald, S; Sagan, F; Migotti, M; Sánchez-Murcia, PA; Konrat, R; Platzer, G
From Weak Interactions to High Stability: Deciphering the Streptavidin-Biotin Interaction through NMR and Computational Analysis.
J Phys Chem B. 2025;
Doi: 10.1021/acs.jpcb.5c00155
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** Carr, CM; Göttsch, F; de Oliveira, BFR; Murcia, PAS; Jackson, SA; Wei, R; Clarke, DJ; Bornscheuer, UT; Dobson, ADW
Identification and expression of MarCE, a marine carboxylesterase with synthetic ester-degrading activity
MICROB BIOTECHNOL. 2024; 17(6): e14479
Doi: 10.1111/1751-7915.14479
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** Ferro-Costas, D; Sánchez-Murcia, PA; Fernández-Ramos, A
Unraveling the Catalytic Mechanism of β-Cyclodextrin in the Vitamin D Formation.
J Chem Inf Model. 2024;
Doi: 10.1021/acs.jcim.3c02049
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** García-Soriano, JC; de, Lucio, H; Elvira-Blázquez, D; Alcón-Calderón, M; Sanz, Del, Olmo, N; Sánchez-Murcia, PA; Ortega, P; de, la, Mata, FJ; Jiménez-Ruiz, A
The repertoire of iron superoxide dismutases from Leishmania infantum as targets in the search for therapeutic agents against leishmaniasis.
J Enzyme Inhib Med Chem. 2024; 39(1): 2377586
Doi: 10.1080/14756366.2024.2377586
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** Hernández-Ortiz, N; Sánchez-Murcia, PA; Gil-Campillo, C; Domenech, M; Lucena-Agell, D; Hortigüela, R; Velázquez, S; Camarasa, MJ; Bustamante, N; de Castro, S; Menéndez, M
Design, synthesis and structure-activity relationship (SAR) studies of an unusual class of non-cationic fatty amine-tripeptide conjugates as novel synthetic antimicrobial agents
FRONT PHARMACOL. 2024; 15: 1428409
Doi: 10.3389/fphar.2024.1428409
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** Platzer, G; Ptaszek, AL; Böttcher, J; Fuchs, JE; Geist, L; Braun, D; McConnell, DB; Konrat, R; Sánchez-Murcia, PA; Mayer, M
Ligand 1 H NMR Chemical Shifts as Accurate Reporters for Protein-Ligand Binding Interfaces in Solution.
Chemphyschem. 2024; 25(1):e202300636
Doi: 10.1002/cphc.202300636
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** Sagmeister, T; Gubensäk, N; Buhlheller, C; Grininger, C; Eder, M; Ðordić, A; Millán, C; Medina, A; Murcia, PAS; Berni, F; Hynönen, U; Vejzović, D; Damisch, E; Kulminskaya, N; Petrowitsch, L; Oberer, M; Palva, A; Malanović, N; Codée, J; Keller, W; Usón, I; Pavkov-Keller, T
The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc Natl Acad Sci U S A. 2024; 121(24): e2401686121
Doi: 10.1073/pnas.2401686121
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** Saridakis, I; Riomet, M; Belleza, OJV; Coussanes, G; Singer, NK; Kastner, N; Xiao, Y; Smith, E; Tona, V; de, la, Torre, A; Lopes, EF; Sánchez-Murcia, PA; González, L; Sitte, HH; Maulide, N
PyrAtes: Modular Organic Salts with Large Stokes Shifts for Fluo-rescence Microscopy.
Angew Chem Int Ed Engl. 2024; 63(19): e202318127
Doi: 10.1002/anie.202318127
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** Ye, H; Franco, C; Aboouf, MA; Thiersch, M; Sevim, S; Llacer-Wintle, J; Veciana, A; Llauradó-Capdevila, G; Wang, K; Chen, XZ; Tang, Q; Matheu, R; Wendel-Garcia, PD; Sánchez-Murcia, PA; Nelson, BJ; Luo, C; Puigmartí-Luis, J; Pané, S
Insights into the Biological Activity and Bio-Interaction Properties of Nanoscale Imine-Based 2D and 3D Covalent Organic Frameworks.
Adv Sci (Weinh). 2024; e2407391
Doi: 10.1002/advs.202407391
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** Erkan-Candag, H; Rochart, DDJP; Tiapko, O; Murcia, PAS; Glasnov, T; Stockner, T; Groschner, K
Deciphering the mechanism of cholesterol sensing in TRPC3 through photopharmacology
BIOPHYS J. 2024; 123(3):393A-393A.-Biophysical Society Meeting; FEB, 11-13, 2024; Philadelphia, USA.
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** Platzer, G; Ptaszek, AL; Böttcher, J; Fuchs, JE; Geist, L; Braun, D; Mcconnell, DB; Konrat, R; Sánchez-Murcia, PA; Mayer, M
Cover Feature: Ligand 1H NMR Chemical Shifts as Accurate Reporters for Protein-Ligand Binding Interfaces in Solution (ChemPhysChem 1/2024)
CHEMPHYSCHEM. 2024; 25(1):
Doi: 10.1002/cphc.202300920
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** Bitter, J; Pfeiffer, M; Borg, AJE; Kuhlmann, K; Pavkov-Keller, T; Sánchez-Murcia, PA; Nidetzky, B
Enzymatic β-elimination in natural product O- and C-glycoside deglycosylation.
Nat Commun. 2023; 14(1): 7123
Doi: 10.1038/s41467-023-42750-0
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** Gubensäk, N; Sagmeister, T; Buhlheller, C; Geronimo, BD; Wagner, GE; Petrowitsch, L; Gräwert, MA; Rotzinger, M; Berger, TMI; Schäfer, J; Usón, I; Reidl, J; Sánchez-Murcia, PA; Zangger, K; Pavkov-Keller, T
Vibrio cholerae's ToxRS bile sensing system.
Elife. 2023; 12:
Doi: 10.7554/eLife.88721
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** Platero-Rochart, D; Krivobokova, T; Gastegger, M; Reibnegger, G; Sanchez-Murcia, PA
Prediction of Enzyme Catalysis by Computing Reaction Energy Barriers via Steered QM/MM Molecular Dynamics Simulations and Machine Learning
J CHEM INF MODEL. 2023;
Doi: 10.1021/acs.jcim.3c00772
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** de Lucio, H; Revuelto, A; Carriles, AA; de Castro, S; Garcia-Gonzalez, S; Garcia-Soriano, JC; Alcon-Calderon, M; Sanchez-Murcia, PA; Hermoso, JA; Gago, F; Camarasa, MJ; Jimenez-Ruiz, A; Velazquez, S
Identification of 1,2,3-triazolium salt-based inhibitors of Leishmania infantum trypanothione disulfide reductase with enhanced antileishmanial potency in cellulo and increased selectivity
EUR J MED CHEM. 2022; 244: 114878
Doi: 10.1016/j.ejmech.2022.114878
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** Singer, NK; Sánchez-Murcia, PA; Ernst, M; González, L
Unravelling the Turn-On Fluorescence Mechanism of a Fluorescein-Based Probe in GABAA Receptors.
Angew Chem Int Ed Engl. 2022; 61(30):e202205198
Doi: 10.1002/anie.202205198
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** Spreitzer, E; Alderson, TR; Bourgeois, B; Eggenreich, L; Habacher, H; Brahmersdorfer, G; Pritišanac, I; Sánchez-Murcia, PA; Madl, T
FOXO transcription factors differ in their dynamics and intra/intermolecular interactions.
Curr Res Struct Biol. 2022; 4:118-133
Doi: 10.1016/j.crstbi.2022.04.001
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** Acosta, J; Pérez, E; Sánchez-Murcia, PA; Fillat, C; Fernández-Lucas, J
Molecular Basis of NDT-Mediated Activation of Nucleoside-Based Prodrugs and Application in Suicide Gene Therapy.
Biomolecules. 2021; 11(1):
Doi: 10.3390/biom11010120
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** Cardenas, G; Menger, MFSJ; Ramos-Berdullas, N; Sánchez-Murcia, PA
Deciphering the Chemical Basis of Fluorescence of a Selenium-Labeled Uracil Probe when Bound at the Bacterial Ribosomal A-Site.
Chemistry. 2021; 27(15):4927-4931
Doi: 10.1002/chem.202004818
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** Revuelto, A; de Lucio, H; García-Soriano, JC; Sánchez-Murcia, PA; Gago, F; Jiménez-Ruiz, A; Camarasa, MJ; Velázquez, S
Efficient Dimerization Disruption of Leishmania infantum Trypanothione Reductase by Triazole-phenyl-thiazoles.
J Med Chem. 2021; 64(9):6137-6160
Doi: 10.1021/acs.jmedchem.1c00206
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** Avagliano, D; Sánchez-Murcia, PA; González, L
Spiropyran Meets Guanine Quadruplexes: Isomerization Mechanism and DNA Binding Modes of Quinolizidine-Substituted Spiropyran Probes.
Chemistry. 2020; 26(57):13039-13045
Doi: 10.1002/chem.202001586
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** Avagliano, D; Tkaczyk, S; Sánchez-Murcia, PA; González, L
Enhanced Rigidity Changes Ultraviolet Absorption: Effect of a Merocyanine Binder on G-Quadruplex Photophysics.
J Phys Chem Lett. 2020; 11(23):10212-10218
Doi: 10.1021/acs.jpclett.0c03070
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** Gigante, A; Sijbesma, E; Sánchez-Murcia, PA; Hu, X; Bier, D; Bäcker, S; Knauer, S; Gago, F; Ottmann, C; Schmuck, C
A Supramolecular Stabilizer of the 14-3-3ζ/ERα Protein-Protein Interaction with a Synergistic Mode of Action.
Angew Chem Int Ed Engl. 2020; 59(13):5284-5287
Doi: 10.1002/anie.201914517
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** Ibele, LM; Sánchez-Murcia, PA; Mai, S; Nogueira, JJ; González, L
Excimer Intermediates en Route to Long-Lived Charge-Transfer States in Single-Stranded Adenine DNA as Revealed by Nonadiabatic Dynamics.
J Phys Chem Lett. 2020; 11(18):7483-7488
Doi: 10.1021/acs.jpclett.0c02193
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** Martínez-Camarena, Á; Sánchez-Murcia, PA; Blasco, S; González, L; García-España, E
Unveiling the reaction mechanism of novel copper N-alkylated tetra-azacyclophanes with outstanding superoxide dismutase activity.
Chem Commun (Camb). 2020; 56(54):7511-7514
Doi: 10.1039/d0cc01926g
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** Sánchez-Murcia, PA; de Castro, S; García-Aparicio, C; Jiménez, MA; Corona, A; Tramontano, E; Sluis-Cremer, N; Menéndez-Arias, L; Velázquez, S; Gago, F; Camarasa, MJ
Peptides Mimicking the β7/β8 Loop of HIV-1 Reverse Transcriptase p51 as "Hotspot-Targeted" Dimerization Inhibitors.
ACS Med Chem Lett. 2020; 11(5):811-817
Doi: 10.1021/acsmedchemlett.9b00623
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** Sánchez-Murcia, PA; Nogueira, JJ; Plasser, F; González, L
Orbital-free photophysical descriptors to predict directional excitations in metal-based photosensitizers.
Chem Sci. 2020; 11(29):7685-7693
Doi: 10.1039/d0sc01684e
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** Avagliano, D; Sánchez-Murcia, PA; González, L
Directional and regioselective hole injection of spiropyran photoswitches intercalated into A/T-duplex DNA.
Phys Chem Chem Phys. 2019; 21(32):17971-17977
Doi: 10.1039/c9cp03398j
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** Avagliano, D; Sánchez-Murcia, PA; González, L
DNA-binding mechanism of spiropyran photoswitches: the role of electrostatics.
Phys Chem Chem Phys. 2019; 21(17):8614-8618
Doi: 10.1039/c8cp07508e
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** Bernardo-García, N; Sánchez-Murcia, PA; Espaillat, A; Martínez-Caballero, S; Cava, F; Hermoso, JA; Gago, F
Cold-induced aldimine bond cleavage by Tris in Bacillus subtilis alanine racemase.
Org Biomol Chem. 2019; 17(17):4350-4358
Doi: 10.1039/c9ob00223e
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** Del Arco, J; Perona, A; González, L; Fernández-Lucas, J; Gago, F; Sánchez-Murcia, PA
Reaction mechanism of nucleoside 2'-deoxyribosyltransferases: free-energy landscape supports an oxocarbenium ion as the reaction intermediate.
Org Biomol Chem. 2019; 17(34):7891-7899
Doi: 10.1039/c9ob01315f
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** Gavin, DP; Reen, FJ; Rocha-Martin, J; Abreu-Castilla, I; Woods, DF; Foley, AM; Sánchez-Murcia, PA; Schwarz, M; O'Neill, P; Maguire, AR; O'Gara, F
Genome mining and characterisation of a novel transaminase with remote stereoselectivity.
Sci Rep. 2019; 9(1):20285-20285
Doi: 10.1038/s41598-019-56612-7
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** Maity, D; Gigante, A; Sánchez-Murcia, PA; Sijbesma, E; Li, M; Bier, D; Mosel, S; Knauer, S; Ottmann, C; Schmuck, C
Arginine mimetic appended peptide-based probes for fluorescence turn-on detection of 14-3-3 proteins.
Org Biomol Chem. 2019; 17(17):4359-4363
Doi: 10.1039/c9ob00620f
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** Revuelto, A; Ruiz-Santaquiteria, M; de Lucio, H; Gamo, A; Carriles, AA; Gutiérrez, KJ; Sánchez-Murcia, PA; Hermoso, JA; Gago, F; Camarasa, MJ; Jiménez-Ruiz, A; Velázquez, S
Pyrrolopyrimidine vs Imidazole-Phenyl-Thiazole Scaffolds in Nonpeptidic Dimerization Inhibitors of Leishmania infantum Trypanothione Reductase.
ACS Infect Dis. 2019; 5(6):873-891
Doi: 10.1021/acsinfecdis.8b00355
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** Rocha-Martin, J; Sánchez-Murcia, PA; López-Gallego, F; Hidalgo, A; Berenguer, J; Guisan, JM
Functional Characterization and Structural Analysis of NADH Oxidase Mutants from Thermus thermophilus HB27: Role of Residues 166, 174, and 194 in the Catalytic Properties and Thermostability.
Microorganisms. 2019; 7(11):
Doi: 10.3390/microorganisms7110515
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** Sánchez-Murcia, PA; Mills, A; Cortés-Cabrera, Á; Gago, F
Unravelling the covalent binding of zampanolide and taccalonolide AJ to a minimalist representation of a human microtubule.
J Comput Aided Mol Des. 2019; 33(7):627-644
Doi: 10.1007/s10822-019-00208-w
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** Bravo, A; de Lucio, H; Sánchez-Murcia, PA; Jiménez-Ruiz, A; Petrone, PM; Gago, F; Cortés Cabrera, A
Identification of NEK3 and MOK as novel targets for lithium.
Chem Biol Drug Des. 2019; 93(5):965-969
Doi: 10.1111/cbdd.13487
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** Del Arco, J; Sánchez-Murcia, PA; Mancheño, JM; Gago, F; Fernández-Lucas, J
Characterization of an atypical, thermostable, organic solvent- and acid-tolerant 2'-deoxyribosyltransferase from Chroococcidiopsis thermalis.
Appl Microbiol Biotechnol. 2018; 102(16):6947-6957
Doi: 10.1007/s00253-018-9134-y
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** Ma, YT; Yang, Y; Cai, P; Sun, DY; Sánchez-Murcia, PA; Zhang, XY; Jia, WQ; Lei, L; Guo, M; Gago, F; Wang, H; Fang, WS
A Series of Enthalpically Optimized Docetaxel Analogues Exhibiting Enhanced Antitumor Activity and Water Solubility.
J Nat Prod. 2018; 81(3):524-533
Doi: 10.1021/acs.jnatprod.7b00857
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** Perez, E; Sanchez-Murcia, PA; Jordaan, J; Blanco, MD; Mancheno, JM; Gago, F; Fernandez-Lucas, J
Enzymatic Synthesis of Therapeutic Nucleosides using a Highly Versatile Purine Nucleoside 2 '-DeoxyribosylTransferase from Trypanosoma brucei
CHEMCATCHEM. 2018; 10(19): 4406-4416.
Doi: 10.1002/cctc.201800775
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** Ruiz-Santaquiteria, M; de Castro, S; Toro, MA; de Lucio, H; Gutiérrez, KJ; Sánchez-Murcia, PA; Jiménez, MÁ; Gago, F; Jiménez-Ruiz, A; Camarasa, MJ; Velázquez, S
Trypanothione reductase inhibition and anti-leishmanial activity of all-hydrocarbon stapled α-helical peptides with improved proteolytic stability.
Eur J Med Chem. 2018; 149(16):238-247
Doi: 10.1016/j.ejmech.2018.02.071
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** Sánchez-Murcia, PA; Nogueira, JJ; González, L
Exciton Localization on Ru-Based Photosensitizers Induced by Binding to Lipid Membranes.
J Phys Chem Lett. 2018; 9(4):683-688
Doi: 10.1021/acs.jpclett.7b03357
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** Torres-Salas, P; Bernal, V; López-Gallego, F; Martínez-Crespo, J; Sánchez-Murcia, PA; Barrera, V; Morales-Jiménez, R; García-Sánchez, A; Mañas-Fernández, A; Seoane, JM; Sagrera Polo, M; Miranda, JD; Calvo, J; Huertas, S; Torres, JL; Alcalde-Bascones, A; González-Barrera, S; Gago, F; Morreale, A; González-Barroso, MDM
Engineering Erg10 Thiolase from Saccharomyces cerevisiae as a Synthetic Toolkit for the Production of Branched-Chain Alcohols.
Biochemistry. 2018; 57(8):1338-1348
Doi: 10.1021/acs.biochem.7b01186
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** Cortés Cabrera, Á; Sánchez-Murcia, PA; Gago, F
Making sense of the past: hyperstability of ancestral thioredoxins explained by free energy simulations.
Phys Chem Chem Phys. 2017; 19(34):23239-23246
Doi: 10.1039/c7cp03659k
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** Crespo, N; Sánchez-Murcia, PA; Gago, F; Cejudo-Sanches, J; Galmes, MA; Fernández-Lucas, J; Mancheño, JM
2'-Deoxyribosyltransferase from Leishmania mexicana, an efficient biocatalyst for one-pot, one-step synthesis of nucleosides from poorly soluble purine bases.
Appl Microbiol Biotechnol. 2017; 101(19):7187-7200
Doi: 10.1007/s00253-017-8450-y
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** de Lucio, H; Gamo, AM; Ruiz-Santaquiteria, M; de Castro, S; Sánchez-Murcia, PA; Toro, MA; Gutiérrez, KJ; Gago, F; Jiménez-Ruiz, A; Camarasa, MJ; Velázquez, S
Improved proteolytic stability and potent activity against Leishmania infantum trypanothione reductase of α/β-peptide foldamers conjugated to cell-penetrating peptides.
Eur J Med Chem. 2017; 140(3):615-623
Doi: 10.1016/j.ejmech.2017.09.032
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** Oliva, C; Sánchez-Murcia, PA; Rico, E; Bravo, A; Menéndez, M; Gago, F; Jiménez-Ruiz, A
Structure-based domain assignment in Leishmania infantum EndoG: characterization of a pH-dependent regulatory switch and a C-terminal extension that largely dictates DNA substrate preferences.
Nucleic Acids Res. 2017; 45(15):9030-9045
Doi: 10.1093/nar/gkx629
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** Ruiz-Santaquiteria, M; Sánchez-Murcia, PA; Toro, MA; de Lucio, H; Gutiérrez, KJ; de Castro, S; Carneiro, FAC; Gago, F; Jiménez-Ruiz, A; Camarasa, MJ; Velázquez, S
First example of peptides targeting the dimer interface of Leishmania infantum trypanothione reductase with potent in vitro antileishmanial activity.
Eur J Med Chem. 2017; 135(19):49-59
Doi: 10.1016/j.ejmech.2017.04.020
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** Sánchez-Murcia, PA; Cortés-Cabrera, Á; Gago, F
Structural rationale for the cross-resistance of tumor cells bearing the A399V variant of elongation factor eEF1A1 to the structurally unrelated didemnin B, ternatin, nannocystin A and ansatrienin B.
J Comput Aided Mol Des. 2017; 31(10):915-928
Doi: 10.1007/s10822-017-0066-x
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** Bernardo-Garcia, N; Sanchez-Murcia, P; Gago, F; Cava, F; Hermoso, JA
Structural Bioinformatics in Broad-Spectrum Racemases: A New Path in Anti-microbial Research
CURR ORG CHEM. 2016; 20(11): 1222-1231.
Doi: 10.2174/1385272819666150810213115
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** Díez-Dacal, B; Sánchez-Gómez, FJ; Sánchez-Murcia, PA; Milackova, I; Zimmerman, T; Ballekova, J; García-Martín, E; Agúndez, JA; Gharbi, S; Gago, F; Stefek, M; Pérez-Sala, D
Molecular Interactions and Implications of Aldose Reductase Inhibition by PGA1 and Clinically Used Prostaglandins.
Mol Pharmacol. 2016; 89(1):42-52
Doi: 10.1124/mol.115.100693
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** Filace, F; Sanchez-Murcia, PA; Sucunza, D; Perez-Redondo, A; Alvarez-Builla, J; Gago, F; Burgos, C
Silyl Assistance in the Intramolecular Addition of Pyridyl Radicals onto Pyridines and Quinolines
EUR J ORG CHEM. 2016; 2016(10): 1891-1896.
Doi: 10.1002/ejoc.201600170
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** Genes, CM; de Lucio, H; González, VM; Sánchez-Murcia, PA; Rico, E; Gago, F; Fasel, N; Jiménez-Ruiz, A
A functional BH3 domain in an aquaporin from Leishmania infantum.
Cell Death Discov. 2016; 2(41):16043-16043
Doi: 10.1038/cddiscovery.2016.43
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** Genes, CM; de Lucio, H; Sánchez-Murcia, PA; Gago, F; Jiménez-Ruiz, A
Pro-death activity of a BH3 domain in an aquaporin from the protozoan parasite Leishmania.
Cell Death Dis. 2016; 7(7):e2318-e2318
Doi: 10.1038/cddis.2016.229
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** Gutiérrez-Fernández, J; Saleh, M; Alcorlo, M; Gómez-Mejía, A; Pantoja-Uceda, D; Treviño, MA; Voß, F; Abdullah, MR; Galán-Bartual, S; Seinen, J; Sánchez-Murcia, PA; Gago, F; Bruix, M; Hammerschmidt, S; Hermoso, JA
Modular Architecture and Unique Teichoic Acid Recognition Features of Choline-Binding Protein L (CbpL) Contributing to Pneumococcal Pathogenesis.
Sci Rep. 2016; 6(6):38094-38094
Doi: 10.1038/srep38094
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** Losada, A; Muñoz-Alonso, MJ; García, C; Sánchez-Murcia, PA; Martínez-Leal, JF; Domínguez, JM; Lillo, MP; Gago, F; Galmarini, CM
Translation Elongation Factor eEF1A2 is a Novel Anticancer Target for the Marine Natural Product Plitidepsin.
Sci Rep. 2016; 6(6):35100-35100
Doi: 10.1038/srep35100
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** Sánchez-Murcia, PA; Bueren-Calabuig, JA; Camacho-Artacho, M; Cortés-Cabrera, Á; Gago, F
Stepwise Simulation of 3,5-Dihydro-5-methylidene-4H-imidazol-4-one (MIO) Biogenesis in Histidine Ammonia-lyase.
Biochemistry. 2016; 55(41):5854-5864
Doi: 10.1021/acs.biochem.6b00744
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** Trigili, C; Barasoain, I; Sánchez-Murcia, PA; Bargsten, K; Redondo-Horcajo, M; Nogales, A; Gardner, NM; Meyer, A; Naylor, GJ; Gómez-Rubio, E; Gago, F; Steinmetz, MO; Paterson, I; Prota, AE; Díaz, JF
Structural Determinants of the Dictyostatin Chemotype for Tubulin Binding Affinity and Antitumor Activity Against Taxane- and Epothilone-Resistant Cancer Cells.
ACS Omega. 2016; 1(6):1192-1204
Doi: 10.1021/acsomega.6b00317
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** Wang, SR; Sánchez-Murcia, PA; Gago, F; Fang, WS
A novel C,D-spirodioxene taxoid synthesized through an unexpected Pd-mediated ring cyclization.
Org Biomol Chem. 2016; 14(1):345-352
Doi: 10.1039/c5ob02131f
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** Benavente, R; Esteban-Torres, M; Kohring, GW; Cortés-Cabrera, Á; Sánchez-Murcia, PA; Gago, F; Acebrón, I; de las Rivas, B; Muñoz, R; Mancheño, JM
Enantioselective oxidation of galactitol 1-phosphate by galactitol-1-phosphate 5-dehydrogenase from Escherichia coli.
Acta Crystallogr D Biol Crystallogr. 2015; 71(Pt 7):1540-1554
Doi: 10.1107/S1399004715009281
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** de Castro, S; Fernández-Cureses, G; Andrei, G; Snoeck, R; Sánchez-Murcia, PA; Korba, B; Gago, F; Balzarini, J; Camarasa, MJ
Conservation of antiviral activity and improved selectivity in PMEO-DAPym upon pyrimidine to triazine scaffold hopping.
Antiviral Res. 2015; 122(1):64-68
Doi: 10.1016/j.antiviral.2015.08.006
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** Gherbovet, O; Sánchez-Murcia, PA; García Alvarez, MC; Bignon, J; Thoret, S; Gago, F; Roussi, F
Synthesis and evaluation of hybrid molecules targeting the vinca domain of tubulin.
Org Biomol Chem. 2015; 13(10):3144-3154
Doi: 10.1039/c4ob02114b
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** Sanchez-Murcia, PA; Ruiz-Santaquiteria, M; Toro, MA; de Lucio, H; Jimenez, MA; Gago, F; Jimenez-Ruiz, A; Camarasa, MJ; Velazquez, S
Comparison of hydrocarbon-and lactam-bridged cyclic peptides as dimerization inhibitors of Leishmania infantum trypanothione reductase
RSC ADV. 2015; 5(69): 55784-55794.
Doi: 10.1039/c5ra06853c
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** Wang, SR; Yang, CG; Sánchez-Murcia, PA; Snyder, JP; Yan, N; Sáez-Calvo, G; Díaz, JF; Gago, F; Fang, WS
Restoration of Microtubule Interaction and Cytotoxicity in D-seco Taxanes upon Incorporation of 20-Hydroxymethyl-4-allyloxy Groups.
Org Lett. 2015; 17(24):6098-6101
Doi: 10.1021/acs.orglett.5b03119
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** Canales, A; Nieto, L; Rodríguez-Salarichs, J; Sánchez-Murcia, PA; Coderch, C; Cortés-Cabrera, A; Paterson, I; Carlomagno, T; Gago, F; Andreu, JM; Altmann, KH; Jiménez-Barbero, J; Díaz, JF
Molecular recognition of epothilones by microtubules and tubulin dimers revealed by biochemical and NMR approaches.
ACS Chem Biol. 2014; 9(4):1033-1043
Doi: 10.1021/cb400673h
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** Toro, MA; Sánchez-Murcia, PA; Moreno, D; Ruiz-Santaquiteria, M; Alzate, JF; Negri, A; Camarasa, MJ; Gago, F; Velázquez, S; Jiménez-Ruiz, A
Probing the dimerization interface of Leishmania infantum trypanothione reductase with site-directed mutagenesis and short peptides.
Chembiochem. 2013; 14(10):1212-1217
Doi: 10.1002/cbic.201200744
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** Cruz, DC; Sánchez-Murcia, PA; Jørgensen, KA
Formal asymmetric enone aminohydroxylation: organocatalytic one-pot synthesis of 4,5-disubstituted oxazolidinones.
Chem Commun (Camb). 2012; 48(49):6112-6114
Doi: 10.1039/c2cc32385k
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** Ernst, OP; Sánchez Murcia, PA; Daldrop, P; Tsunoda, SP; Kateriya, S; Hegemann, P
Photoactivation of channelrhodopsin.
J Biol Chem. 2008; 283(3):1637-1643
Doi: 10.1074/jbc.M708039200
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