Publications

Found 2750 results
2022
Schuermann, J. (2022) Data Flow at NE-CAT. 2022 Workshop on High Data Rate Macromolecular Crystallography (HDRMX)
Gannam, Z. T. K., Jamali, H., Kweon, O. Sang, Herrington, J., Shillingford, S. R., Papini, C., Gentzel, E., Lolis, E., Bennett, A. M., Ellman, J. A., and Anderson, K. S. (2022) Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors. Eur J Med Chem. 243, 114712
Ketcham, J. M., Haling, J., Khare, S., Bowcut, V., Briere, D. M., Burns, A. C., Gunn, R. J., Ivetac, A., Kuehler, J., Kulyk, S., Laguer, J., J Lawson, D., Moya, K., Nguyen, N., Rahbaek, L., Saechao, B., Smith, C. R., Sudhakar, N., Thomas, N. C., Vegar, L., Vanderpool, D., Wang, X., Yan, L., Olson, P., Christensen, J. G., and Marx, M. A. (2022) Design and Discovery of MRTX0902, a Potent, Selective, Brain-Penetrant, and Orally Bioavailable Inhibitor of the SOS1:KRAS Protein-Protein Interaction. J Med Chem. 65, 9678-9690
Cao, L., Coventry, B., Goreshnik, I., Huang, B., Park, J. Sung, Jude, K. M., Marković, I., Kadam, R. U., Verschueren, K. H. G., Verstraete, K., Walsh, S. Thomas Rus, Bennett, N., Phal, A., Yang, A., Kozodoy, L., DeWitt, M., Picton, L., Miller, L., Strauch, E. - M., DeBouver, N. D., Pires, A., Bera, A. K., Halabiya, S., Hammerson, B., Yang, W., Bernard, S., Stewart, L., Wilson, I. A., Ruohola-Baker, H., Schlessinger, J., Lee, S., Savvides, S. N., K Garcia, C., and Baker, D. (2022) Design of protein binding proteins from target structure alone. Nature. 10.1038/s41586-022-04654-9
Stille, J. K., Tjutrins, J., Wang, G., Venegas, F. A., Hennecker, C., Rueda, A. M., Sharon, I., Blaine, N., Miron, C. E., Pinus, S., Labarre, A., Plescia, J., Patrascu, M. Burai, Zhang, X., Wahba, A. S., Vlaho, D., Huot, M. J., T Schmeing, M., Mittermaier, A. K., and Moitessier, N. (2022) Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL covalent inhibitors.. Eur J Med Chem. 229, 114046
Liu, H., Iketani, S., Zask, A., Khanizeman, N., Bednarova, E., Forouhar, F., Fowler, B., Hong, S. Jung, Mohri, H., Nair, M. S., Huang, Y., Tay, N. E. S., Lee, S., Karan, C., Resnick, S. J., Quinn, C., Li, W., Shion, H., Xia, X., Daniels, J. D., Bartolo-Cruz, M., Farina, M., Rajbhandari, P., Jurtschenko, C., Lauber, M. A., McDonald, T., Stokes, M. E., Hurst, B. L., Rovis, T., Chavez, A., Ho, D. D., and Stockwell, B. R. (2022) Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun. 13, 1891
Serafim, R. A. M., Santiago, Ada Silva, Schwalm, M. P., Hu, Z., Reis, C. V. Dos, Takarada, J. E., Mezzomo, P., Massirer, K. B., Kudolo, M., Gerstenecker, S., Chaikuad, A., Zender, L., Knapp, S., Laufer, S., Couñago, R. M., and Gehringer, M. (2022) Development of the First Covalent Monopolar Spindle Kinase 1 (MPS1/TTK) Inhibitor. J Med Chem. 65, 3173-3192
Zhang, J., Huang, J., Xu, K., Xing, P., Huang, Y., Liu, Z., Tong, L., and Manley, J. L. (2022) DHX15 is involved in SUGP1-mediated RNA missplicing by mutant SF3B1 in cancer. Proc Natl Acad Sci U S A. 119, e2216712119
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
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
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
Park, K. - S., Xiong, Y., Yim, H., Velez, J., Babault, N., Kumar, P., Liu, J., and Jin, J. (2022) Discovery of the First-in-Class G9a/GLP Covalent Inhibitors. J Med Chem. 10.1021/acs.jmedchem.2c00652
Rohaim, A., Vermeulen, B. J. A., Li, J., Kümmerer, F., Napoli, F., Blachowicz, L., Medeiros-Silva, J., Roux, B., and Weingarth, M. (2022) A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun. 13, 1574
Levenson-Palmer, R., Luciano, D. J., Vasilyev, N., Nuthanakanti, A., Serganov, A., and Belasco, J. G. (2022) A distinct RNA recognition mechanism governs Np decapping by RppH. Proc Natl Acad Sci U S A. 10.1073/pnas.2117318119
Fu, J. Y., Muroski, J. M., Arbing, M. A., Salguero, J. A., Wofford, N. Q., McInerney, M. J., Gunsalus, R. P., Loo, J. A., and Loo, R. R. Ogorzale (2022) Dynamic acylome reveals metabolite driven modifications in . Front Microbiol. 13, 1018220
Xiong, X., Tian, S., Yang, P., Lebreton, F., Bao, H., Sheng, K., Yin, L., Chen, P., Zhang, J., Qi, W., Ruan, J., Wu, H., Chen, H., Breault, D. T., Wu, H., Earl, A. M., Gilmore, M. S., Abraham, J., and Dong, M. (2022) Emerging enterococcus pore-forming toxins with MHC/HLA-I as receptors. Cell. 185, 1157-1171.e22
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
Rohaim, A., Slezak, T., Koh, Y. Hoon, Blachowicz, L., Kossiakoff, A. A., and Roux, B. (2022) Engineering of a synthetic antibody fragment for structural and functional studies of K+ channels. J Gen Physiol. 10.1085/jgp.202112965
Chen, W. - H., Kim, J. H., Bu, W., Board, N. L., Tsybovsky, Y., Wang, Y., Hostal, A., Andrews, S. F., Gillespie, R. A., Choe, M., Stephens, T., Yang, E. Sung, Pegu, A., Peterson, C. E., Fisher, B. E., Mascola, J. R., Pittaluga, S., McDermott, A. B., Kanekiyo, M., M Joyce, G., and Cohen, J. I. (2022) Epstein-Barr virus gH/gL has multiple sites of vulnerability for virus neutralization and fusion inhibition. Immunity. 55, 2135-2148.e6
Wang, F., Li, L., Dou, Y., Shi, R., Duan, X., Liu, H., Zhang, J., Liu, D. D., Wu, J., He, Y., Lan, J., Lu, B., Feng, H., and Yan, J. (2022) Etesevimab in combination with JS026 neutralizing SARS-CoV-2 and its variants. Emerg Microbes Infect. 11, 548-551
Said, M. Y., Kang, C. S., Wang, S., Sheffler, W., Salveson, P. J., Bera, A. K., Kang, A., Nguyen, H., Ballard, R., Li, X., Bai, H., Stewart, L., Levine, P., and Baker, D. (2022) Exploration of Structured Symmetric Cyclic Peptides as Ligands for Metal-Organic Frameworks. Chem Mater. 34, 9736-9744
Murray, K. A., Evans, D., Hughes, M. P., Sawaya, M. R., Hu, C. J., Houk, K. N., and Eisenberg, D. (2022) Extended β-Strands Contribute to Reversible Amyloid Formation.. ACS Nano. 16, 2154-2163
Beseiso, D., Chen, E. V., McCarthy, S. E., Martin, K. N., Gallagher, E. P., Miao, J., and Yatsunyk, L. A. (2022) The first crystal structures of hybrid and parallel four-tetrad intramolecular G-quadruplexes. Nucleic Acids Res. 50, 2959-2972
Herp, D., Ridinger, J., Robaa, D., Shinsky, S. A., Schmidtkunz, K., Yesiloglu, T. Z., Bayer, T., Steimbach, R. R., Herbst-Gervasoni, C. J., Merz, A., Romier, C., Sehr, P., Gunkel, N., Miller, A. K., Christianson, D. W., Oehme, I., Sippl, W., and Jung, M. (2022) First Fluorescent Acetylspermidine Deacetylation Assay for HDAC10 Identifies Selective Inhibitors with Cellular Target Engagement. Chembiochem. 10.1002/cbic.202200180
Sanchez, A. M., Jacewicz, A., and Shuman, S. (2022) Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate. J Biol Chem. 10.1016/j.jbc.2022.101851

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