Publications

Found 130 results
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2025
Liu, H., Zask, A., Forouhar, F., Iketani, S., Williams, A., Vaz, D. R., Habashi, D., Choi, K., Resnick, S. J., Hong, S. Jung, Lovett, D. H., Bai, T., Chavez, A., Ho, D. D., and Stockwell, B. R. (2025) Development of small molecule non-covalent coronavirus 3CL protease inhibitors from DNA-encoded chemical library screening. Nat Commun. 16, 152
Yirmiya, E., Hobbs, S. J., Leavitt, A., Osterman, I., Avraham, C., Hochhauser, D., Madhala, B., Skovorodka, M., Tan, J. M. J., Toyoda, H. C., Chebotar, I., Itkin, M., Malitsky, S., Amitai, G., Kranzusch, P. J., and Sorek, R. (2025) Structure-guided discovery of viral proteins that inhibit host immunity. Cell. 10.1016/j.cell.2024.12.035
Wieteska, Ł., Taylor, A. B., Punch, E., Coleman, J. A., Conway, I. O., Lin, Y. - F., Byeon, C. - H., Hinck, C. S., Krzysiak, T., Ishima, R., López-Casillas, F., Cherepanov, P., Bernard, D. J., Hill, C. S., and Hinck, A. P. (2025) Structures of TGF-β with betaglycan and signaling receptors reveal mechanisms of complex assembly and signaling.. Nat Commun. 16, 1778
2024
Sun, D., Storek, K. M., Tegunov, D., Yang, Y., Arthur, C. P., Johnson, M., Quinn, J. G., Liu, W., Han, G., Girgis, H. S., Alexander, M. Kate, Murchison, A. K., Shriver, S., Tam, C., Ijiri, H., Inaba, H., Sano, T., Yanagida, H., Nishikawa, J., Heise, C. E., Fairbrother, W. J., Tan, M. - W., Skelton, N., Sandoval, W., Sellers, B. D., Ciferri, C., Smith, P. A., Reid, P. C., Cunningham, C. N., Rutherford, S. T., and Payandeh, J. (2024) The discovery and structural basis of two distinct state-dependent inhibitors of BamA. Nat Commun. 15, 8718
Sun, D., Storek, K. M., Tegunov, D., Yang, Y., Arthur, C. P., Johnson, M., Quinn, J. G., Liu, W., Han, G., Girgis, H. S., Alexander, M. Kate, Murchison, A. K., Shriver, S., Tam, C., Ijiri, H., Inaba, H., Sano, T., Yanagida, H., Nishikawa, J., Heise, C. E., Fairbrother, W. J., Tan, M. - W., Skelton, N., Sandoval, W., Sellers, B. D., Ciferri, C., Smith, P. A., Reid, P. C., Cunningham, C. N., Rutherford, S. T., and Payandeh, J. (2024) The discovery and structural basis of two distinct state-dependent inhibitors of BamA. Nat Commun. 15, 8718
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
Ketcham, J. M., Harwood, S. J., Aranda, R., Aloiau, A. N., Bobek, B. M., Briere, D. M., Burns, A. C., Haatveit, K. Caddell, Calinisan, A., Clarine, J., Elliott, A., Engstrom, L. D., Gunn, R. J., Ivetac, A., Jones, B., Kuehler, J., J Lawson, D., Nguyen, N., Parker, C., Pearson, K. E., Rahbaek, L., Saechao, B., Wang, X., Waters, A., Waters, L., Watkins, A. H., Olson, P., Smith, C. R., Christensen, J. G., and Marx, M. A. (2024) Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3Kα Mutant Protein.. J Med Chem. 67, 4936-4949
Ohler, A., Taylor, P. E., Bledsoe, J. A., Iavarone, A. T., Gilbert, N. C., and Offenbacher, A. R. (2024) Identification of the Thermal Activation Network in Human 15-Lipoxygenase-2: Divergence from Plant Orthologs and Its Relationship to Hydrogen Tunneling Activation Barriers. ACS Catal. 14, 5444-5457
Fram, B., Su, Y., Truebridge, I., Riesselman, A. J., Ingraham, J. B., Passera, A., Napier, E., Thadani, N. N., Lim, S., Roberts, K., Kaur, G., Stiffler, M. A., Marks, D. S., Bahl, C. D., Khan, A. R., Sander, C., and Gauthier, N. P. (2024) Simultaneous enhancement of multiple functional properties using evolution-informed protein design. Nat Commun. 15, 5141
2023
Anderson, A. J., Dodge, G. J., Allen, K. N., and Imperiali, B. (2023) Co-conserved sequence motifs are predictive of substrate specificity in a family of monotopic phosphoglycosyl transferases. Protein Sci. 32, e4646
Hollander, K., Chan, A. H., Frey, K. M., Hunker, O., Ippolito, J. A., Spasov, K. A., Yeh, Y. - H. J., Jorgensen, W. L., Ho, Y. - C., and Anderson, K. S. (2023) Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise. Protein Sci. 32, e4814
Balaratnam, S., Torrey, Z. R., Calabrese, D. R., Banco, M. T., Yazdani, K., Liang, X., Fullenkamp, C. R., Seshadri, S., Holewinski, R. J., Andresson, T., Ferré-D'Amaré, A. R., Incarnato, D., and Schneekloth, J. S. (2023) Investigating the NRAS 5' UTR as a target for small molecules. Cell Chem Biol. 30, 643-657.e8
Simmons, H. C., Watanabe, A., Iii, T. H. Oguin, Van Itallie, E. S., Wiehe, K. J., Sempowski, G. D., Kuraoka, M., Kelsoe, G., and McCarthy, K. R. (2023) A new class of antibodies that overcomes a steric barrier to cross-group neutralization of influenza viruses. PLoS Biol. 21, e3002415
Fram, B., Truebridge, I., Su, Y., Riesselman, A. J., Ingraham, J. B., Passera, A., Napier, E., Thadani, N. N., Lim, S., Roberts, K., Kaur, G., Stiffler, M., Marks, D. S., Bahl, C. D., Khan, A. R., Sander, C., and Gauthier, N. P. (2023) Simultaneous enhancement of multiple functional properties using evolution-informed protein design. bioRxiv. 10.1101/2023.05.09.539914
Vuksanovic, N., Clasman, J. R., Imperiali, B., and Allen, K. N. (2023) Specificity determinants revealed by the structure of glycosyltransferase Campylobacter concisus PglA. Protein Sci. 10.1002/pro.4848
Gorelik, A., Illes, K., Mazhab-Jafari, M. T., and Nagar, B. (2023) Structure of the immunoregulatory sialidase NEU1. Sci Adv. 9, eadf8169
Deng, Y., Song, X., Iyamu, I. D., Dong, A., Min, J., and Huang, R. (2023) A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors. Acta Pharm Sin B. 13, 4893-4905
2022
Liu, L., Iketani, S., Guo, Y., Casner, R. G., Reddem, E. R., Nair, M. S., Yu, J., Chan, J. F. - W., Wang, M., Cerutti, G., Li, Z., Morano, N. C., Castagna, C. D., Corredor, L., Chu, H., Yuan, S., Poon, V. Kwok- Man, Chan, C. Chun- Sing, Chen, Z., Luo, Y., Cunningham, M., Chavez, A., Yin, M. T., Perlin, D. S., Tsuji, M., Yuen, K. - Y., Kwong, P. D., Sheng, Z., Huang, Y., Shapiro, L., and Ho, D. D. (2022) An antibody class with a common CDRH3 motif broadly neutralizes sarbecoviruses. Sci Transl Med. 10.1126/scitranslmed.abn6859
Aoki, M., Vinokur, J., Motoyama, K., Ishikawa, R., Collazo, M., Cascio, D., Sawaya, M. R., Ito, T., Bowie, J. U., and Hemmi, H. (2022) Crystal structure of mevalonate 3,5-bisphosphate decarboxylase reveals insight into the evolution of decarboxylases in the mevalonate metabolic pathways. J Biol Chem. 10.1016/j.jbc.2022.102111
Aoki, M., Vinokur, J., Motoyama, K., Ishikawa, R., Collazo, M., Cascio, D., Sawaya, M. R., Ito, T., Bowie, J. U., and Hemmi, H. (2022) Crystal structure of mevalonate 3,5-bisphosphate decarboxylase reveals insight into the evolution of decarboxylases in the mevalonate metabolic pathways. J Biol Chem. 10.1016/j.jbc.2022.102111
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
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
Smith, C. R., Kulyk, S., Ahmad, M. Ud Din, Arkhipova, V., Christensen, J. G., Gunn, R. J., Ivetac, A., Ketcham, J. M., Kuehler, J., J Lawson, D., Thomas, N. C., Wang, X., and Marx, M. A. (2022) Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits. RSC Med Chem. 13, 1549-1564
Smith, C. R., Aranda, R., Bobinski, T. P., Briere, D. M., Burns, A. C., Christensen, J. G., Clarine, J., Engstrom, L. D., Gunn, R. J., Ivetac, A., Jean-Baptiste, R., Ketcham, J. M., Kobayashi, M., Kuehler, J., Kulyk, S., J Lawson, D., Moya, K., Olson, P., Rahbaek, L., Thomas, N. C., Wang, X., Waters, L. M., and Marx, M. A. (2022) Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of -Deleted Cancers.. J Med Chem. 10.1021/acs.jmedchem.1c01900
Hwang, T., Parker, S. S., Hill, S. M., Grant, R. A., Ilunga, M. W., Sivaraman, V., Mouneimne, G., and Keating, A. E. (2022) Native proline-rich motifs exploit sequence context to target actin-remodeling Ena/VASP protein ENAH. Elife. 10.7554/eLife.70680

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