Publications

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Journal Article
Lyubimov, A. Y., Uervirojnangkoorn, M., Zeldin, O. B., Zhou, Q., Zhao, M., Brewster, A. S., Michels-Clark, T., Holton, J. M., Sauter, N. K., Weis, W. I., and Brunger, A. T. (2016) Advances in X-ray free electron laser (XFEL) diffraction data processing applied to the crystal structure of the synaptotagmin-1 / SNARE complex. Elife. 10.7554/eLife.18740
Watanabe, A., McCarthy, K. R., Kuraoka, M., Schmidt, A. G., Adachi, Y., Onodera, T., Tonouchi, K., Caradonna, T. M., Bajic, G., Song, S., McGee, C. E., Sempowski, G. D., Feng, F., Urick, P., Kepler, T. B., Takahashi, Y., Harrison, S. C., and Kelsoe, G. (2019) Antibodies to a Conserved Influenza Head Interface Epitope Protect by an IgG Subtype-Dependent Mechanism. Cell. 177, 1124-1135.e16
Uddin, M. Jashim, Crews, B. C., Xu, S., Ghebreselasie, K., Daniel, C. K., Kingsley, P. J., Banerjee, S., and Marnett, L. J. (2016) Antitumor Activity of Cytotoxic Cyclooxygenase-2 Inhibitors. ACS Chem Biol. 11, 3052-3060
Zhou, Q., Lai, Y., Bacaj, T., Zhao, M., Lyubimov, A. Y., Uervirojnangkoorn, M., Zeldin, O. B., Brewster, A. S., Sauter, N. K., Cohen, A. E., S Soltis, M., Alonso-Mori, R., Chollet, M., Lemke, H. T., Pfuetzner, R. A., Choi, U. B., Weis, W. I., Diao, J., Südhof, T. C., and Brunger, A. T. (2015) Architecture of the synaptotagmin-SNARE machinery for neuronal exocytosis. Nature. 525, 62-7
Steimbach, R. R., Herbst-Gervasoni, C. J., Lechner, S., Stewart, T. Murray, Klinke, G., Ridinger, J., Géraldy, M. N. E., Tihanyi, G., Foley, J. R., Uhrig, U., Kuster, B., Poschet, G., Casero, R. A., Médard, G., Oehme, I., Christianson, D. W., Gunkel, N., and Miller, A. K. (2022) Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout. J Am Chem Soc. 144, 18861-18875
Unciuleac, M. - C., Goldgur, Y., and Shuman, S. (2020) Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation. Nucleic Acids Res. 10.1093/nar/gkaa238
Mandal, K., Uppalapati, M., Ault-Riché, D., Kenney, J., Lowitz, J., Sidhu, S. S., and Kent, S. B. H. (2012) Chemical synthesis and X-ray structure of a heterochiral {D-protein antagonist plus vascular endothelial growth factor} protein complex by racemic crystallography. Proc Natl Acad Sci U S A. 109, 14779-84
Schormann, N., Campos, J., Motamed, R., Hayden, K. L., Gould, J. R., Green, T. J., Senkovich, O., Banerjee, S., Ulett, G. C., and Chattopadhyay, D. (2020) Chlamydia trachomatis Glyceraldehyde 3-phosphate dehydrogenase: Enzyme Kinetics, High Resolution Crystal Structure and Plasminogen Binding. Protein Sci. 10.1002/pro.3975
Fallas, J. A., Ueda, G., Sheffler, W., Nguyen, V., McNamara, D. E., Sankaran, B., Pereira, J. Henrique, Parmeggiani, F., Brunette, T. J., Cascio, D., Yeates, T. R., Zwart, P., and Baker, D. (2017) Computational design of self-assembling cyclic protein homo-oligomers. Nat Chem. 9, 353-360
West, A. Mv, Rosenberg, S. C., Ur, S. N., Lehmer, M. K., Ye, Q., Hagemann, G., Caballero, I., Usón, I., MacQueen, A. J., Herzog, F., and Corbett, K. D. (2019) A conserved filamentous assembly underlies the structure of the meiotic chromosome axis. Elife. 10.7554/eLife.40372
West, A. Mv, Rosenberg, S. C., Ur, S. N., Lehmer, M. K., Ye, Q., Hagemann, G., Caballero, I., Usón, I., MacQueen, A. J., Herzog, F., and Corbett, K. D. (2019) A conserved filamentous assembly underlies the structure of the meiotic chromosome axis. Elife. 10.7554/eLife.40372
Unciuleac, M. - C., Smith, P. C., and Shuman, S. (2016) Crystal Structure and Biochemical Characterization of a Mycobacterium smegmatis AAA-Type Nucleoside Triphosphatase Phosphohydrolase (Msm0858). J Bacteriol. 198, 1521-33
Uson, M. Loressa, Carl, A., Goldgur, Y., and Shuman, S. (2018) Crystal structure and mutational analysis of Mycobacterium smegmatis FenA highlight active site amino acids and three metal ions essential for flap endonuclease and 5' exonuclease activities. Nucleic Acids Res. 10.1093/nar/gky238
Ujwal, R., Cascio, D., Colletier, J. - P., Faham, S., Zhang, J., Toro, L., Ping, P., and Abramson, J. (2008) The crystal structure of mouse VDAC1 at 2.3 A resolution reveals mechanistic insights into metabolite gating. Proc Natl Acad Sci U S A. 105, 17742-7
Schormann, N., Ayres, C. A., Fry, A., Green, T. J., Banerjee, S., Ulett, G. C., and Chattopadhyay, D. (2016) Crystal Structures of Group B Streptococcus Glyceraldehyde-3-Phosphate Dehydrogenase: Apo-Form, Binary and Ternary Complexes. PLoS One. 11, e0165917
Trachman, R. J., Abdolahzadeh, A., Andreoni, A., Cojocaru, R., Knutson, J. R., Ryckelynck, M., Unrau, P. J., and Ferré-D'Amaré, A. R. (2018) Crystal Structures of the Mango-II RNA Aptamer Reveal Heterogeneous Fluorophore Binding and Guide Engineering of Variants with Improved Selectivity and Brightness. Biochemistry. 57, 3544-3548
Unger, E. K., Keller, J. P., Altermatt, M., Liang, R., Matsui, A., Dong, C., Hon, O. J., Yao, Z., Sun, J., Banala, S., Flanigan, M. E., Jaffe, D. A., Hartanto, S., Carlen, J., Mizuno, G. O., Borden, P. M., Shivange, A. V., Cameron, L. P., Sinning, S., Underhill, S. M., Olson, D. E., Amara, S. G., Lang, D. Temple, Rudnick, G., Marvin, J. S., Lavis, L. D., Lester, H. A., Alvarez, V. A., Fisher, A. J., Prescher, J. A., Kash, T. L., Yarov-Yarovoy, V., Gradinaru, V., Looger, L. L., and Tian, L. (2020) Directed Evolution of a Selective and Sensitive Serotonin Sensor via Machine Learning. Cell. 183, 1986-2002.e26
Unger, E. K., Keller, J. P., Altermatt, M., Liang, R., Matsui, A., Dong, C., Hon, O. J., Yao, Z., Sun, J., Banala, S., Flanigan, M. E., Jaffe, D. A., Hartanto, S., Carlen, J., Mizuno, G. O., Borden, P. M., Shivange, A. V., Cameron, L. P., Sinning, S., Underhill, S. M., Olson, D. E., Amara, S. G., Lang, D. Temple, Rudnick, G., Marvin, J. S., Lavis, L. D., Lester, H. A., Alvarez, V. A., Fisher, A. J., Prescher, J. A., Kash, T. L., Yarov-Yarovoy, V., Gradinaru, V., Looger, L. L., and Tian, L. (2020) Directed Evolution of a Selective and Sensitive Serotonin Sensor via Machine Learning. Cell. 183, 1986-2002.e26
Kono, M., Ochida, A., Oda, T., Imada, T., Banno, Y., Taya, N., Masada, S., Kawamoto, T., Yonemori, K., Nara, Y., Fukase, Y., Yukawa, T., Tokuhara, H., Skene, R., Sang, B. - C., Hoffman, I. D., Snell, G. P., Uga, K., Shibata, A., Igaki, K., Nakamura, Y., Nakagawa, H., Tsuchimori, N., Yamasaki, M., Shirai, J., and Yamamoto, S. (2018) Discovery of [cis-3-({(5 R)-5-[(7-Fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl}carbonyl)cyclobutyl]acetic Acid (TAK-828F) as a Potent Selective and Orally Available Novel Retinoic Acid Receptor-R. J Med Chem. 10.1021/acs.jmedchem.8b00061
Smith, C. R., Chen, D., Christensen, J. G., Coulombe, R., Féthière, J., Gunn, R. J., Hollander, J., Jones, B., Ketcham, J. M., Khare, S., Kuehler, J., J Lawson, D., Marx, M. A., Olson, P., Pearson, K. E., Ren, C., Tsagris, D., Ulaganathan, T., Veer, I. Van't, Wang, X., and Ivetac, A. (2024) Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography. J Med Chem. 67, 774-781
Hanan, E. J., Braun, M. - G., Heald, R. A., MacLeod, C., Chan, C., Clausen, S., Edgar, K. A., Eigenbrot, C., Elliott, R., Endres, N., Friedman, L. S., Gogol, E., Gu, X. - H., Thibodeau, R. Hong, Jackson, P. S., Kiefer, J. R., Knight, J. D., Nannini, M., Narukulla, R., Pace, A., Pang, J., Purkey, H. E., Salphati, L., Sampath, D., Schmidt, S., Sideris, S., Song, K., Sujatha-Bhaskar, S., Ultsch, M., Wallweber, H., Xin, J., Yeap, S. K., Young, A., Zhong, Y., and Staben, S. T. (2022) Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3Kα.. J Med Chem. 10.1021/acs.jmedchem.2c01422
Ryder, B. D., Boyer, D. R., Ustyantseva, E., Mendoza-Oliva, A., Kuska, M. I., Wydorski, P. M., Sawaya, M., Diamond, M. I., Eisenberg, D. S., Kampinga, H. H., and Joachimiak, L. A. (2023) DNAJB8 oligomerization is mediated by an aromatic-rich motif that is dispensable for substrate activity. bioRxiv. 10.1101/2023.03.06.531355
Xu, S., Uddin, M. Jashim, Banerjee, S., Duggan, K., Musee, J., Kiefer, J. R., Ghebreselasie, K., Rouzer, C. A., and Marnett, L. J. (2019) Fluorescent indomethacin-dansyl conjugates utilize the membrane-binding domain of cyclooxygenase-2 to block the opening to the active site. J Biol Chem. 10.1074/jbc.RA119.007405
C Y Jeng, S., Trachman, R. J., Weissenboeck, F., Truong, L., Link, K. A., Jepsen, M. D. E., Knutson, J. R., Andersen, E. S., Ferré-D'Amaré, A. R., and Unrau, P. J. (2021) Fluorogenic aptamers resolve the flexibility of RNA junctions using orientation-dependent FRET. RNA. 27, 433-444
Richards, L. S., Flores, M. D., Millán, C., Glynn, C., Zee, C. - T., Sawaya, M. R., Gallagher-Jones, M., Borges, R. J., Usón, I., and Rodriguez, J. A. (2023) Fragment-Based Phasing of Peptidic Nanocrystals by MicroED. ACS Bio Med Chem Au. 3, 201-210

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