Publications

Found 125 results
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2022
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
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
2021
Vorobieva, A. A., White, P., Liang, B., Horne, J. E., Bera, A. K., Chow, C. M., Gerben, S., Marx, S., Kang, A., Stiving, A. Q., Harvey, S. R., Marx, D. C., G Khan, N., Fleming, K. G., Wysocki, V. H., Brockwell, D. J., Tamm, L. K., Radford, S. E., and Baker, D. (2021) De novo design of transmembrane β barrels.. Science. 10.1126/science.abc8182
Anishchenko, I., Pellock, S. J., Chidyausiku, T. M., Ramelot, T. A., Ovchinnikov, S., Hao, J., Bafna, K., Norn, C., Kang, A., Bera, A. K., DiMaio, F., Carter, L., Chow, C. M., Montelione, G. T., and Baker, D. (2021) De novo protein design by deep network hallucination. Nature. 10.1038/s41586-021-04184-w
Hymel, D., Tsuji, K., Grant, R. A., Chingle, R. M., Kunciw, D. L., Yaffe, M. B., and Burke, T. R. (2021) Design and synthesis of a new orthogonally protected glutamic acid analog and its use in the preparation of high affinity polo-like kinase 1 polo-box domain - binding peptide macrocycles. Org Biomol Chem. 19, 7843-7854
Wittlinger, F., Heppner, D. E., To, C., Günther, M., Shin, B. Hee, Rana, J. K., Schmoker, A. M., Beyett, T. S., Berger, L. M., Berger, B. - T., Bauer, N., Vasta, J. D., Corona, C. R., Robers, M. B., Knapp, S., Jänne, P. A., Eck, M. J., and Laufer, S. A. (2021) Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites. J Med Chem. 10.1021/acs.jmedchem.1c00848
Hsia, Y., Mout, R., Sheffler, W., Edman, N. I., Vulovic, I., Park, Y. - J., Redler, R. L., Bick, M. J., Bera, A. K., Courbet, A., Kang, A., Brunette, T. J., Nattermann, U., Tsai, E., Saleem, A., Chow, C. M., Ekiert, D., Bhabha, G., Veesler, D., and Baker, D. (2021) Design of multi-scale protein complexes by hierarchical building block fusion. Nat Commun. 12, 2294
Bloch, J. S., Mukherjee, S., Kowal, J., Filippova, E. V., Niederer, M., Pardon, E., Steyaert, J., Kossiakoff, A. A., and Locher, K. P. (2021) Development of a universal nanobody-binding Fab module for fiducial-assisted cryo-EM studies of membrane proteins. Proc Natl Acad Sci U S A. 10.1073/pnas.2115435118
Mélin, L., Abdullayev, S., Fnaiche, A., Vu, V., Suárez, N. González, Zeng, H., Szewczyk, M. M., Li, F., Senisterra, G., Allali-Hassani, A., Chau, I., Dong, A., Woo, S., Annabi, B., Halabelian, L., LaPlante, S. R., Vedadi, M., Barsyte-Lovejoy, D., Santhakumar, V., and Gagnon, A. (2021) Development of LM98, a Small-Molecule TEAD Inhibitor Derived from Flufenamic Acid. ChemMedChem. 16, 2982-3002
Ye, G., Gallant, J., Zheng, J., Massey, C., Shi, K., Tai, W., Odle, A., Vickers, M., Shang, J., Wan, Y., Du, L., Aihara, H., Perlman, S., LeBeau, A., and Li, F. (2021) The development of Nanosota-1 as anti-SARS-CoV-2 nanobody drug candidates. Elife. 10.7554/eLife.64815
Rothenburger, T., Thomas, D., Schreiber, Y., Wratil, P. R., Pflantz, T., Knecht, K., Digianantonio, K., Temple, J., Schneider, C., Baldauf, H. - M., McLaughlin, K. - M., Rothweiler, F., Bilen, B., Farmand, S., Bojkova, D., Costa, R., Ferreirós, N., Geisslinger, G., Oellerich, T., Xiong, Y., Keppler, O. T., Wass, M. N., Michaelis, M., and Cinatl, J. (2021) Differences between intrinsic and acquired nucleoside analogue resistance in acute myeloid leukaemia cells. J Exp Clin Cancer Res. 40, 317
Hwang, T., Parker, S. S., Hill, S. M., Ilunga, M. W., Grant, R. A., Mouneimne, G., and Keating, A. E. (2021) A distributed residue network permits conformational binding specificity in a conserved family of actin remodelers. Elife. 10.7554/eLife.70601
Cappadocia, L., Kochańczyk, T., and Lima, C. D. (2021) DNA asymmetry promotes SUMO modification of the single-stranded DNA-binding protein RPA. EMBO J. 10.15252/embj.2019103787
Ren, W., Fan, H., Grimm, S. A., Kim, J. Jin, Li, L., Guo, Y., Petell, C. James, Tan, X. - F., Zhang, Z. - M., Coan, J. P., Yin, J., Kim, D. In, Gao, L., Cai, L., Khudaverdyan, N., Çetin, B., Patel, D. J., Wang, Y., Cui, Q., Strahl, B. D., Gozani, O., Miller, K. M., O'Leary, S. E., Wade, P. A., Wang, G. Greg, and Song, J. (2021) DNMT1 reads heterochromatic H4K20me3 to reinforce LINE-1 DNA methylation. Nat Commun. 12, 2490
Waschbüsch, D., Purlyte, E., and Khan, A. R. (2021) Dual arginine recognition of LRRK2 phosphorylated Rab GTPases. Biophys J. 10.1016/j.bpj.2021.03.030
Swain, M., Ageeli, A. A., Kasprzak, W. K., Li, M., Miller, J. T., Sztuba-Solinska, J., Schneekloth, J. S., Koirala, D., Piccirili, J., Fraboni, A. J., Murelli, R. P., Wlodawer, A., Shapiro, B. A., Baird, N., and Le Grice, S. F. J. (2021) Dynamic bulge nucleotides in the KSHV PAN ENE triple helix provide a unique binding platform for small molecule ligands. Nucleic Acids Res. 49, 13179-13193
2020
Polizzi, N. F., and DeGrado, W. F. (2020) A defined structural unit enables de novo design of small-molecule-binding proteins. Science. 369, 1227-1233
Miller, A. Kern, Morgen, M., Steimbach, R. R., Géraldy, M., Hellweg, L., Sehr, P., Ridinger, J., Witt, O., Oehme, I., Herbst-Gervasoni, C. J., Osko, J. D., Porter, N. J., Christianson, D. W., and Gunkel, N. (2020) Design and Synthesis of Dihydroxamic Acids as HDAC6/8/10 Inhibitors. ChemMedChem. 10.1002/cmdc.202000149
Berk, J. M., Lim, C., Ronau, J. A., Chaudhuri, A., Chen, H., Beckmann, J. F., J Loria, P., Xiong, Y., and Hochstrasser, M. (2020) A deubiquitylase with an unusually high-affinity ubiquitin-binding domain from the scrub typhus pathogen Orientia tsutsugamushi. Nat Commun. 11, 2343
Adhikari, A. A., Seegar, T. C. M., Ficarro, S. B., McCurry, M. D., Ramachandran, D., Yao, L., Chaudhari, S. N., Ndousse-Fetter, S., Banks, A. S., Marto, J. A., Blacklow, S. C., and A Devlin, S. (2020) Development of a covalent inhibitor of gut bacterial bile salt hydrolases. Nat Chem Biol. 16, 318-326
Ye, G., Gallant, J. P., Massey, C., Shi, K., Tai, W., Zheng, J., Odle, A. E., Vickers, M. A., Shang, J., Wan, Y., Drelich, A., Kempaiah, K. R., Tat, V., Perlman, S., Du, L., Tseng, C. - T., Aihara, H., LeBeau, A. M., and Li, F. (2020) The Development of a Novel Nanobody Therapeutic for SARS-CoV-2. bioRxiv. 10.1101/2020.11.17.386532
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

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