Publications
2026
1.Rivero M, Pacheco-Garcia JL, Vankova P, et al. Tyrosine residues at the substrate binding site in human NQO1 homodimer: Protein conformational dynamics and optimization of substrate binding geometry. FEBS J. 2026. doi:10.1111/febs.70511.
2.Doppler D, Grieco A, Koh D, et al. Minimized sample consumption for time-resolved serial crystallography applied to the redox cycle of human NQO1. Commun Chem. 2026;9(1):107. doi:10.1038/s42004-026-01908-9.
3. Ranaweera ME, Jernigan RJ, Boradia KS, et al. Purification and structural characterization of the tularemia membrane protein virulence factors CapB and CapC. Biochim Biophys Acta Biomembr. 2026;1868(3):184522. doi:10.1016/j.bbamem.2026.184522.
2025
1.Giraldo-Ruiz L, Quereda-Moraleda I, Grieco A, Ruiz-Sanz J, Luque I, Martin-Garcia JM*. Structural insights into full-length human fascin1: a target for cancer treatment. Acta Crystallogr F Struct Biol Commun. 2025 Jul 1;81(Pt 7):319-331. doi: 10.1107/S2053230X25005254.
2.Hou Y, Zhong B, Zhao L, Wang H, Zhu Y, Wang X, Zheng H, Yu J, Liu G, Wang X, Martin-Garcia JM, Chen X. A small molecule cryptotanshinone induces non-enzymatic NQO1-dependent necrosis in cancer cells through the JNK1/2/Iron/PARP/calcium pathway. Acta Pharm Sin B. 2025. 15(2):991-1006. doi: 10.1016/j.apsb.2024.12.005.
3. Reyes L, Naser L, Weiner WS, Thifault D, Stahl E, McCreary L, Nott R, Quick C, Buchberger A, Alvarado C, Rivera A, Miller JA, Khatiwala R, Cherry BR, Nelson R, Martin-Garcia JM, Stephanopoulos N, Fromme R, Fromme P, Cance W, Marlowe T. Structure-based discovery of hydrocarbon-stapled paxillin peptides that block FAK scaffolding in cancer. Nat Commun. 2025.16(1):2060. doi: 10.1038/s41467-025-57196-9.
2024
1. Manna A, Sonker M, Koh D, Steiger M, Ansari A, Hu H, Quereda-Moraleda I, Grieco A, Doppler D, de Sanctis D, Basu S, Orlans J, Rose SL, Botha S, Martin-Garcia JM*, Ros A. Cyclic Olefin Copolymer-Based Fixed-Target Sample Delivery Device for Protein X-ray Crystallography. Anal Chem. 2024;96(52):20371–81. doi: 10.1021/acs.analchem.4c03484
2. Moreno A, Quereda-Moraleda I, Lozano-Vallhonrat C, Buñuel-Escudero M, Botha S, Kupitz C, Lisova S, Sierra R, Mariani V, Schleissner P, Gee LB, Dörner K, Schmidt C, Han H, Kloos M, Smyth P, Valerio J, Schulz J, de Wijn R, Melo DVM, Round A, Trost F, Sobolev E, Juncheng E, Sikorski M, Bean R, Martínez-Júlvez M, Martin-Garcia JM*, Medina M. New insights into the function and molecular mechanisms of Ferredoxin-NADP+ reductase from Brucella ovis. Arch Biochem Biophys. 2024;762:110204. doi: 10.1016/j.abb.2024.110204
3. Grieco A, Quereda-Moraleda I, Martin-Garcia JM*. Innovative Strategies in X-ray Crystallography for Exploring Structural Dynamics and Reaction Mechanisms in Metabolic Disorders. J Pers Med. 2024;14(9):909. doi: 10.3390/jpm14090909. (Review).
4. Grieco A, Boneta S, Gavira JA, Pey AL, Basu S, Orlans J, Sanctis D, Medina M, Martin-Garcia JM*. Structural dynamics and functional cooperativity of human NQO1 by ambient temperature serial crystallography and simulations. Protein Sci. 2024;33(4):e4957. doi: 10.1002/pro.4957
5. Vankova P, Pacheco-Garcia JL, Loginov DS, Gómez-Mulas A, Kádek A, Martin-Garcia JM, Salido E, Man P, Pey AL. Insights into the pathogenesis of primary hyperoxaluria type I from the structural dynamics of alanine:glyoxylate aminotransferase variants. FEBS Lett. 2024;598(4):485-499. doi: 10.1002/1873-3468.14800
2023
1. Grieco A, Ruiz-Fresneda MA, Gómez-Mulas A, Pacheco-García JL, Quereda-Moraleda I, Pey AL, Martin-Garcia JM. Structural dynamics at the active site of the cancer-associated flavoenzyme NQO1 probed by chemical modification with PMSF. FEBS Lett. 2023 Nov;597(21):2687-2698. doi: 10.1002/1873-3468.14738
2. El-Araby AM, Jiménez-Faraco E, Feltzer R, Martin-Garcia JM, Karri BR, Ramachandran B, Kim C, Fisher JF, Hermoso JA, Mobashery S. Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa. J Biol Chem. 2023 Oct;299(10):105198. doi: 10.1016/j.jbc.2023.105198
3.Malla TN, Zielinski K, Aldama L, Bajt S, Feliz D, Hayes B, Hunter M, Kupitz C, Lisova S, Knoska J, Martin-Garcia JM, Mariani V, Pandey S, Poudyal I, Sierra RG, Tolstikova A, Yefanov O, Yoon CH, Ourmazd A, Fromme P, Schwander P, Barty A, Chapman HN, Stojkovic EA, Batyuk A, Boutet S, Phillips GN Jr, Pollack L, Schmidt M. Heterogeneity in M. tuberculosis β-lactamase inhibition by Sulbactam. Nat Commun. 2023 Sep 7;14(1):5507. doi: 10.1038/s41467-023-41246-1
4. Doppler D, Sonker M, Egatz-Gomez A, Grieco A, Zaare S, Jernigan R, Meza-Aguilar JD, Rabbani MT, Manna A, Alvarez RC, Karpos K, Cruz Villarreal J, Nelson G, Yang JH, Carrion J, Morin K, Ketawala GK, Pey AL, Ruiz-Fresneda MA, Pacheco-Garcia JL, Hermoso JA, Nazari R, Sierra R, Hunter MS, Batyuk A, Kupitz CJ, Sublett RE, Lisova S, Mariani V, Boutet S, Fromme R, Grant TD, Botha S, Fromme P, Kirian RA, Martin-Garcia JM, Ros A. Modular droplet injector for sample conservation providing new structural insight for the conformational heterogeneity in the disease-associated NQO1 enzyme. Lab Chip. 2023 Jun 28;23(13):3016-3033. doi: 10.1039/d3lc00176h
5.Jernigan RJ, Logeswaran D, Doppler D, Nagaratnam N, Sonker M, Yang JH, Ketawala G, Martin-Garcia JM, Shelby ML, Grant TD, Mariani V, Tolstikova A, Sheikh MZ, Yung MC, Coleman MA, Zaare S, Kaschner EK, Rabbani MT, Nazari R, Zacks MA, Hayes B, Sierra RG, Hunter MS, Lisova S, Batyuk A, Kupitz C, Boutet S, Hansen DT, Kirian RA, Schmidt M, Fromme R, Frank M, Ros A, Chen JJ, Botha S, Fromme P. Room-temperature structural studies of SARS-CoV-2 protein NendoU with an X-ray free-electron laser. Structure. 2023 Feb 2;31(2):138-151.e5. doi: 10.1016/j.str.2022.12.009
2022
1. Sonker M, Doppler D, Egatz-Gomez A, Zaare S, Rabbani MT, Manna A, Cruz Villarreal J, Nelson G, Ketawala GK, Karpos K, Alvarez RC, Nazari R, Thifault D, Jernigan R, Oberthür D, Han H, Sierra R, Hunter MS, Batyuk A, Kupitz CJ, Sublett RE, Poitevin F, Lisova S, Mariani V, Tolstikova A, Boutet S, Messerschmidt M, Meza-Aguilar JD, Fromme R, Martin-Garcia JM, Botha S, Fromme P, Grant TD, Kirian RA, Ros A. Electrically stimulated droplet injector for reduced sample consumption in serial crystallography. Biophys Rep (N Y). 2022 Sep 29;2(4):100081. doi: 10.1016/j.bpr.2022.100081.
2. 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. Structural and biophysical properties of FopA, a major outer membrane protein of Francisella tularensis. PLoS One. 2022 Aug 1;17(8):e0267370. doi: 10.1371/journal.pone.0267370.
3. Zhang S, Hansen DT, Martin-Garcia JM, Zook JD, Pan S, Craciunescu FM, Burnett JC Jr, Fromme P. Purification, characterization, and preliminary serial crystallography diffraction advances structure determination of full-length human particulate guanylyl cyclase A receptor. Sci Rep. 2022 Jul 12;12(1):11824. doi: 10.1038/s41598-022-15798-z.
4. Martin-Garcia JM. Macromolecular Serial Crystallography (Volume II). Crystals. 2022; 12(6):768. https://doi.org/10.3390/cryst12060768
5. 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. Serial macromolecular crystallography at ALBA Synchrotron Light Source. Journal of Synchrotron Rad. (2022) 29 doi:10.1107/S1600577522002508
6. Doppler D, Rabbani MT, Letrun R, Cruz Villarreal J, Kim DH, Gandhi S, Egatz-Gomez A, Sonker M, Chen J, Koua FHM, Yang J, Youssef M, Mazalova V, Bajt S, Shelby ML, Coleman MA, Wiedorn MO, Knoska J, Schön S, Sato T, Hunter MS, Hosseinizadeh A, Kuptiz C, Nazari R, Alvarez RC, Karpos K, Zaare S, Dobson Z, Discianno E, Zhang S, Zook JD, Bielecki J, de Wijn R, Round AR, Vagovic P, Kloos M, Vakili M, Ketawala GK, Stander NE, Olson TL, Morin K, Mondal J, Nguyen J, Meza-Aguilar JD, Kodis G, Vaiana S, Martin-Garcia JM, Mariani V, Schwander P, Schmidt M, Messerschmidt M, Ourmazd A, Zatsepin N, Weierstall U, Bruce BD, Mancuso AP, Grant T, Barty A, Chapman HN, Frank M, Fromme R, Spence JCH, Botha S, Fromme P, Kirian RA, Ros A. Co-flow injection for serial crystallography at X-ray free-electron lasers. J Appl Crystallogr. 2022 Feb 1;55(Pt 1):1-13. doi: 10.1107/S1600576721011079.
2021
1. Martin-Garcia J.M.*. Protein Dynamics and Time Resolved Protein Crystallography at Synchrotron Radiation Sources: Past, Present and Future. Crystals 2021, 11, 521. doi.org/10.3390/cryst11050521