Staff Publications

Gao, L., Lam, K. - H., Liu, S., Przykopanski, A., Lübke, J., Qi, R., Krüger, M., Nowakowska, M. B., Selby, K., Douillard, F. P., Dorner, M. B., Perry, K., Lindström, M., Dorner, B. G., Rummel, A., and Jin, R. (2023) Crystal structures of OrfX1, OrfX2 and the OrfX1-OrfX3 complex from the orfX gene cluster of botulinum neurotoxin E1. FEBS Lett. 597, 524-537
Andorfer, M. C., Evans, D., Yang, S., He, C. Qixin, Girlich, A. M., Vergara-Coll, J., Sukumar, N., Houk, K. N., and Lewis, J. C. (2022) Analysis of Laboratory-Evolved Flavin-Dependent Halogenases Affords a Computational Model for Predicting Halogenase Site Selectivity. Chem Catal. 2, 2658-2674
Chen, B., Perry, K., and Jin, R. (2022) Neutralizing epitopes on toxin A revealed by the structures of two camelid VHH antibodies. Front Immunol. 13, 978858
Clark, N. E., Katolik, A., Welch, A., Schorl, C., Holloway, S. P., Schuermann, J. P., P Hart, J., Taylor, A. B., Damha, M. J., and Fairbrother, W. G. (2022) Crystal Structure of the RNA Lariat Debranching Enzyme Dbr1 with Hydrolyzed Phosphorothioate RNA Product. Biochemistry. 10.1021/acs.biochem.2c00590
Kelso, S., O'Brien, S., Kurinov, I., Angers, S., and Sicheri, F. (2022) Crystal structure of the CDK11 kinase domain bound to the small-molecule inhibitor OTS964. Structure. 10.1016/j.str.2022.10.003
Chana, C. K., Maisonneuve, P., Posternak, G., Grinberg, N. G. A., Poirson, J., Ona, S. M., Ceccarelli, D. F., Mader, P., St-Cyr, D. J., Pau, V., Kurinov, I., Tang, X., Deng, D., Cui, W., Su, W., Kuai, L., Soll, R., Tyers, M., Röst, H. L., Batey, R. A., Taipale, M., Gingras, A. - C., and Sicheri, F. (2022) Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4. J Med Chem. 10.1021/acs.jmedchem.2c00509
Bubenik, M., Mader, P., Mochirian, P., Vallée, F., Clark, J., Truchon, J. - F., Perryman, A. L., Pau, V., Kurinov, I., Zahn, K. E., Leclaire, M. - E., Papp, R., Mathieu, M. - C., Hamel, M., Duffy, N. M., Godbout, C., Casas-Selves, M., Falgueyret, J. - P., Baruah, P. S., Nicolas, O., Stocco, R., Poirier, H., Martino, G., Fortin, A. Bonneau, Roulston, A., Chefson, A., Dorich, S., St-Onge, M., Patel, P., Pellerin, C., Ciblat, S., Pinter, T., Barabé, F., Bakkouri, M. El, Parikh, P., Gervais, C., Sfeir, A., Mamane, Y., Morris, S. J., W Black, C., Sicheri, F., and Gallant, M. (2022) Identification of , an Orally Bioavailable Compound that Inhibits the DNA Polymerase Activity of Polθ.. J Med Chem. 10.1021/acs.jmedchem.2c00998
Wang, Y., Tsitsiklis, A., Devoe, S., Gao, W., H Chu, H., Zhang, Y., Li, W., Wong, W. Ki, Deane, C. M., Neau, D., Slansky, J. E., Thomas, P. G., Robey, E. A., and Dai, S. (2022) Peptide Centric Vβ Specific Germline Contacts Shape a Specialist T Cell Response.. Front Immunol. 13, 847092
Greisman, J. B., Dalton, K. M., Sheehan, C. J., Klureza, M. A., Kurinov, I., and Hekstra, D. R. (2022) Native SAD phasing at room temperature. Acta Crystallogr D Struct Biol. 78, 986-996
Szychowski, J., Papp, R., Dietrich, E., Liu, B., Vallée, F., Leclaire, M. - E., Fourtounis, J., Martino, G., Perryman, A. L., Pau, V., Yin, S. Yun, Mader, P., Roulston, A., Truchon, J. - F., C Marshall, G., Diallo, M., Duffy, N. M., Stocco, R., Godbout, C., Bonneau-Fortin, A., Kryczka, R., Bhaskaran, V., Mao, D., Orlicky, S., Beaulieu, P., Turcotte, P., Kurinov, I., Sicheri, F., Mamane, Y., Gallant, M., and W Black, C. (2022) Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306. J Med Chem. 10.1021/acs.jmedchem.2c00552
Gallegos, E. M., Reed, T. D., Mathes, F. A., Guevara, N. V., Neau, D. B., Huang, W., Newcomer, M. E., and Gilbert, N. C. (2022) Helical remodeling augments 5-lipoxygenase activity in the synthesis of pro-inflammatory mediators. J Biol Chem. 10.1016/j.jbc.2022.102282
Chen, B., Liu, Z., Perry, K., and Jin, R. (2022) Structure of the glucosyltransferase domain of TcdA in complex with RhoA provides insights into substrate recognition. Sci Rep. 12, 9028
Arrigoni, C., Lolicato, M., Shaya, D., Rohaim, A., Findeisen, F., Fong, L. - K., Colleran, C. M., Dominik, P., Kim, S. S., Schuermann, J. P., DeGrado, W. F., Grabe, M., Kossiakoff, A. A., and Minor, D. L. (2022) Quaternary structure independent folding of voltage-gated ion channel pore domain subunits. Nat Struct Mol Biol. 29, 537-548
Martyn, G. D., Veggiani, G., Kusebauch, U., Morrone, S. R., Yates, B. P., Singer, A. U., Tong, J., Manczyk, N., Gish, G., Sun, Z., Kurinov, I., Sicheri, F., Moran, M. F., Moritz, R. L., and Sidhu, S. S. (2022) Engineered SH2 Domains for Targeted Phosphoproteomics. ACS Chem Biol. 17, 1472-1484
Veggiani, G., Yates, B. P., Martyn, G. D., Manczyk, N., Singer, A. U., Kurinov, I., Sicheri, F., and Sidhu, S. S. (2022) Panel of Engineered Ubiquitin Variants Targeting the Family of Human Ubiquitin Interacting Motifs. ACS Chem Biol. 17, 941-956
Chen, B., Basak, S., Chen, P., Zhang, C., Perry, K., Tian, S., Yu, C., Dong, M., Huang, L., Bowen, M. E., and Jin, R. (2022) Structure and conformational dynamics of toxin A. Life Sci Alliance. 10.26508/lsa.202201383
Ubah, O. C., Lake, E. W., Gunaratne, G. S., Gallant, J. P., Fernie, M., Robertson, A. J., Marchant, J. S., Bold, T. D., Langlois, R. A., Matchett, W. E., Thiede, J. M., Shi, K., Yin, L., Moeller, N. H., Banerjee, S., Ferguson, L., Kovaleva, M., Porter, A. J., Aihara, H., LeBeau, A. M., and Barelle, C. J. (2021) Mechanisms of SARS-CoV-2 neutralization by shark variable new antigen receptors elucidated through X-ray crystallography. Nat Commun. 12, 7325
Shi, F., Mendrola, J. M., Sheetz, J. B., Wu, N., Sommer, A., Speer, K. F., Noordermeer, J. N., Kan, Z. - Y., Perry, K., S Englander, W., Stayrook, S. E., Fradkin, L. G., and Lemmon, M. A. (2021) ROR and RYK extracellular region structures suggest that receptor tyrosine kinases have distinct WNT-recognition modes. Cell Rep. 37, 109834
Liu, Z., Zhang, S., Chen, P., Tian, S., Zeng, J., Perry, K., Dong, M., and Jin, R. (2021) Structural basis for selective modification of Rho and Ras GTPases by toxin B. Sci Adv. 7, eabi4582
Tsai, W. - C., Gilbert, N. C., Ohler, A., Armstrong, M., Perry, S., Kalyanaraman, C., Yasgar, A., Rai, G., Simeonov, A., Jadhav, A., Standley, M., Lee, H. - W., Crews, P., Iavarone, A. T., Jacobson, M. P., Neau, D. B., Offenbacher, A. R., Newcomer, M., and Holman, T. R. (2021) Kinetic and structural investigations of novel inhibitors of human epithelial 15-lipoxygenase-2. Bioorg Med Chem. 46, 116349
Khan, N., Pelletier, D., McAlear, T. S., Croteau, N., Veyron, S., Bayne, A. N., Black, C., Ichikawa, M., Khalifa, A. Abdelzaher, Chaaban, S., Kurinov, I., Brouhard, G., Bechstedt, S., Bui, K. Huy, and Trempe, J. - F. (2021) Crystal structure of human PACRG in complex with MEIG1 reveals roles in axoneme formation and tubulin binding. Structure. 29, 572-586.e6
Kelso, S., Orlicky, S., Beenstock, J., Ceccarelli, D. F., Kurinov, I., Gish, G., and Sicheri, F. (2021) Bipartite binding of the N terminus of Skp2 to cyclin A. Structure. 10.1016/j.str.2021.04.011
Pourfarjam, Y., Ma, Z., Kurinov, I., Moss, J., and Kim, I. - K. (2021) Structural and biochemical analysis of human ADP-ribosyl-acceptor hydrolase 3 (ARH3) reveals the basis of metal selectivity and different roles for the two Mg ions. J Biol Chem. 10.1016/j.jbc.2021.100692
Moeller, N. H., Shi, K., Demir, Ö., Banerjee, S., Yin, L., Belica, C., Durfee, C., Amaro, R. E., and Aihara, H. (2021) Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN. bioRxiv. 10.1101/2021.04.02.438274
Silvaroli, J. A., Plau, J., Adams, C. H., Banerjee, S., Widjaja-Adhi, M. Airanthi K., Blaner, W. S., and Golczak, M. (2021) Molecular basis for the interaction of cellular retinol-binding protein 2 (CRBP2) with non-retinoid ligands. J Lipid Res. 10.1016/j.jlr.2021.100054
Shi, K., Moeller, N. H., Banerjee, S., McCann, J. L., Carpenter, M. A., Yin, L., Moorthy, R., Orellana, K., Harki, D. A., Harris, R. S., and Aihara, H. (2021) Structural basis for recognition of distinct deaminated DNA lesions by endonuclease Q. Proc Natl Acad Sci U S A. 10.1073/pnas.2021120118
Li, J., Ma, X., Banerjee, S., Chen, H., Ma, W., Bode, A. M., and Dong, Z. (2021) Crystal structure of the human PRPK-TPRKB complex. Commun Biol. 4, 167
Uddin, M. Jashim, Xu, S., Crews, B. C., Aleem, A. M., Ghebreselasie, K., Banerjee, S., and Marnett, L. J. (2020) Harmaline Analogs as Substrate-Selective Cyclooxygenase-2 Inhibitors. ACS Med Chem Lett. 11, 1881-1885
Li, J., Ma, X., Banerjee, S., Baruah, S., Schnicker, N. J., Roh, E., Ma, W., Liu, K., Bode, A. M., and Dong, Z. (2020) Structural basis for multifunctional roles of human Ints3 C-terminal domain. J Biol Chem. 10.1074/jbc.RA120.016393
Shi, K., Oakland, J. T., Kurniawan, F., Moeller, N. H., Banerjee, S., and Aihara, H. (2020) Structural basis of superinfection exclusion by bacteriophage T4 Spackle. Commun Biol. 3, 691
Liu, S., Li, S., Shen, G., Sukumar, N., Krezel, A. M., and Li, W. (2020) Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation. Science. 10.1126/science.abc5667
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
Lam, K. - H., Perry, K., Shoemaker, C. B., and Jin, R. (2020) Two VHH Antibodies Neutralize Botulinum Neurotoxin E1 by Blocking Its Membrane Translocation in Host Cells. Toxins (Basel). 10.3390/toxins12100616
Shi, K., Kurniawan, F., Banerjee, S., Moeller, N. H., and Aihara, H. (2020) Crystal structure of bacteriophage T4 Spackle as determined by native SAD phasing. Acta Crystallogr D Struct Biol. 76, 899-904
Posternak, G., Tang, X., Maisonneuve, P., Jin, T., Lavoie, H., Daou, S., Orlicky, S., de Rugy, T. Goullet, Caldwell, L., Chan, K., Aman, A., Prakesch, M., Poda, G., Mader, P., Wong, C., Maier, S., Kitaygorodsky, J., Larsen, B., Colwill, K., Yin, Z., Ceccarelli, D. F., Batey, R. A., Taipale, M., Kurinov, I., Uehling, D., Wrana, J., Durocher, D., Gingras, A. - C., Al-awar, R., Therrien, M., and Sicheri, F. (2020) Functional characterization of a PROTAC directed against BRAF mutant V600E. Nat Chem Biol. 10.1038/s41589-020-0609-7

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