Publications

Found 503 results
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2025
Simanshu, D. K., Xu, R., Stice, J. P., Czyzyk, D. J., Feng, S., Denson, J. - P., Riegler, E., Yang, Y., Zhang, C., Donovan, S., Smith, B. P., Abreu-Blanco, M., Chen, M., Feng, C., Fu, L., Rabara, D., Young, L. C., Dyba, M., Yan, W., Lin, K., Ghorbanpoorvalukolaie, S., Larsen, E. K., Malik, W., Champagne, A., Parker, K., Ju, J. Hyun, Jeknic, S., Esposito, D., Turner, D. M., Lightstone, F. C., Wang, B., Wehn, P. M., Wang, K., Stephen, A. G., Maciag, A. E., Hata, A. N., Sinkevicius, K. W., Nissley, D. V., Wallace, E. M., McCormick, F., and Beltran, P. J. (2025) BBO-10203 inhibits tumor growth without inducing hyperglycemia by blocking RAS-PI3Kα interaction.. Science. 10.1126/science.adq2004
Alexander, P., Chan, A. H., Rabara, D., Swain, M., Larsen, E. K., Dyba, M., Chertov, O., Ashraf, M., Champagne, A., Lin, K., Maciag, A., Gillette, W. K., Nissley, D. V., McCormick, F., Simanshu, D. K., and Stephen, A. G. (2025) Biophysical and structural analysis of KRAS switch-II pocket inhibitors reveals allele-specific binding constraints. J Biol Chem. 10.1016/j.jbc.2025.110331
Tresco, B. I. C., J Y Wu, K., Ramkissoon, A., Aleksandrova, E. V., Purdy, M., N Y See, D., Liu, R. Y., Polikanov, Y. S., and Myers, A. G. (2025) Discovery of a fluorinated macrobicyclic antibiotic through chemical synthesis. Nat Chem. 10.1038/s41557-025-01738-7
Bergman, H. M., Fan, A. T., Jones, C. G., Rothenberger, A. J., Jha, K. K., Handford, R. C., Nelson, H. M., Liu, Y., and T Tilley, D. (2025) Discovery of an Interlocked and Interwoven Molecular Topology in Nanocarbons via Dynamic C-C Bond Formation. J Am Chem Soc. 147, 19132-19138
Ota, N., Davies, C. W., Kang, J., Yan, D., Scherl, A., Wong, A., Cook, R., Tao, X., Dunlap, D., Klabunde, S., Mantik, P., Mohanan, V., Lin, W. Y., McBride, J., Sadekar, S., Storek, K. M., Lupardus, P., Ye, Z., Wallweber, H. Ackerly, Kiefer, J. R., Xu, M., Chan, P., Nagapudi, K., Yi, T., and Koerber, J. T. (2025) Engineering a protease-stable, oral single-domain antibody to inhibit IL-23 signaling. Proc Natl Acad Sci U S A. 122, e2501635122
Carmona-Rosas, G., Li, J., Smith, J. J., Nawrocka, W. I., Cheng, S., Baltrusaitis, E. E., Zhao, M., Araç, D., Kratsios, P., and zkan, E. Ö. (2025) Structural basis and functional roles for Toll-like receptor binding to Latrophilin in C. elegans development.. Nat Struct Mol Biol. 10.1038/s41594-025-01592-8
M Joyce, G., Bu, W., Chen, W. - H., Gillespie, R. A., Andrews, S. F., Wheatley, A. K., Tsybovsky, Y., Jensen, J. L., Stephens, T., Prabhakaran, M., Fisher, B. E., Narpala, S. R., Bagchi, M., McDermott, A. B., Nabel, G. J., Kwong, P. D., Mascola, J. R., Cohen, J. I., and Kanekiyo, M. (2025) Structural basis for complement receptor engagement and virus neutralization through Epstein-Barr virus gp350. Immunity. 58, 295-308.e5
M Joyce, G., Bu, W., Chen, W. - H., Gillespie, R. A., Andrews, S. F., Wheatley, A. K., Tsybovsky, Y., Jensen, J. L., Stephens, T., Prabhakaran, M., Fisher, B. E., Narpala, S. R., Bagchi, M., McDermott, A. B., Nabel, G. J., Kwong, P. D., Mascola, J. R., Cohen, J. I., and Kanekiyo, M. (2025) Structural basis for complement receptor engagement and virus neutralization through Epstein-Barr virus gp350. Immunity. 58, 295-308.e5
Czyzyk, D., Yan, W., Messing, S., Gillette, W., Tsuji, T., Yamaguchi, M., Furuzono, S., Turner, D. M., Esposito, D., Nissley, D. V., McCormick, F., and Simanshu, D. K. (2025) Structural insights into isoform-specific RAS-PI3Kα interactions and the role of RAS in PI3Kα activation.. Nat Commun. 16, 525
Tang, J., Moorthy, R., Hirsch, L. E., Demir, Ö., Baker, Z. D., Naumann, J. A., Jones, K. F. M., Grillo, M. J., Haefner, E. S., Shi, K., Levy, M. J., Gupta, H. B., Aihara, H., Harris, R. S., Amaro, R. E., Levinson, N. M., and Harki, D. A. (2025) Targeting N-Myc in neuroblastoma with selective Aurora kinase A degraders. Cell Chem Biol. 32, 352-362.e10
J Y Wu, K., Aleksandrova, E. V., Robinson, P. J., Benedetto, A. E., Yu, M., Tresco, B. I. C., N Y See, D., Jiang, T., Ramkissoon, A., Dunand, C. F., Svetlov, M. S., Lee, J., Polikanov, Y. S., and Myers, A. G. (2025) Why Sulfur is Important in Lincosamide Antibiotics. Chem. 10.1016/j.chempr.2025.102480
2024
J Y Wu, K., Tresco, B. I. C., Ramkissoon, A., Aleksandrova, E. V., Syroegin, E. A., N Y See, D., Liow, P., Dittemore, G. A., Yu, M., Testolin, G., Mitcheltree, M. J., Liu, R. Y., Svetlov, M. S., Polikanov, Y. S., and Myers, A. G. (2024) An antibiotic preorganized for ribosomal binding overcomes antimicrobial resistance. Science. 383, 721-726
Tao, Y., Budhipramono, A., Huang, J., Fang, M., Xie, S., Kim, J., Khivansara, V., Dominski, Z., Tong, L., De Brabander, J. K., and Nijhawan, D. (2024) Anticancer benzoxaboroles block pre-mRNA processing by directly inhibiting CPSF3. Cell Chem Biol. 31, 139-149.e14
An, L., Said, M., Tran, L., Majumder, S., Goreshnik, I., Lee, G. Rie, Juergens, D., Dauparas, J., Anishchenko, I., Coventry, B., Bera, A. K., Kang, A., Levine, P. M., Alvarez, V., Pillai, A., Norn, C., Feldman, D., Zorine, D., Hicks, D. R., Li, X., Sanchez, M. Garcia, Vafeados, D. K., Salveson, P. J., Vorobieva, A. A., and Baker, D. (2024) Binding and sensing diverse small molecules using shape-complementary pseudocycles. Science. 385, 276-282
Whitley, M. J., Tran, T. H., Rigby, M., Yi, M., Dharmaiah, S., Waybright, T. J., Ramakrishnan, N., Perkins, S., Taylor, T., Messing, S., Esposito, D., Nissley, D. V., McCormick, F., Stephen, A. G., Turbyville, T., Cornilescu, G., and Simanshu, D. K. (2024) Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties. Sci Adv. 10, eadj4137
Meeks, K. R., Bogner, A. N., Nix, J. C., and Tanner, J. J. (2024) Crystallographic Fragment Screening of a Bifunctional Proline Catabolic Enzyme Reveals New Inhibitor Templates for Proline Dehydrogenase and L-Glutamate-γ-semialdehyde Dehydrogenase.. Molecules. 10.3390/molecules29225408
Sahtoe, D. D., Andrzejewska, E. A., Han, H. L., Rennella, E., Schneider, M. M., Meisl, G., Ahlrichs, M., Decarreau, J., Nguyen, H., Kang, A., Levine, P., Lamb, M., Li, X., Bera, A. K., Kay, L. E., Knowles, T. P. J., and Baker, D. (2024) Design of amyloidogenic peptide traps. Nat Chem Biol. 20, 981-990
Nayak, D., Lv, D., Yuan, Y., Zhang, P., Hu, W., Nayak, A., Ruben, E. A., Lv, Z., Sung, P., Hromas, R., Zheng, G., Zhou, D., and Olsen, S. K. (2024) Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL. Nat Commun. 15, 2743
Nayak, D., Lv, D., Yuan, Y., Zhang, P., Hu, W., Nayak, A., Ruben, E. A., Lv, Z., Sung, P., Hromas, R., Zheng, G., Zhou, D., and Olsen, S. K. (2024) Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL. Nat Commun. 15, 2743
Chase, D. H., Bebenek, A. M., Nie, P., Jaime-Figueroa, S., Butrin, A., Castro, D. A., Hines, J., Linhares, B. M., and Crews, C. M. (2024) Development of a Small Molecule Downmodulator for the Transcription Factor Brachyury. Angew Chem Int Ed Engl. 63, e202316496
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
Maciag, A. E., Stice, J. P., Wang, B., Sharma, A. K., Chan, A. H., Lin, K., Singh, D., Dyba, M., Yang, Y., Setoodeh, S., Smith, B. P., Ju, J. Hyun, Jeknic, S., Rabara, D., Zhang, Z., Larsen, E. K., Esposito, D., Denson, J. - P., Ranieri, M., Meynardie, M., Mehdizadeh, S., Alexander, P. A., Blanco, M. Abreu, Turner, D. M., Xu, R., Lightstone, F. C., Wong, K. - K., Stephen, A. G., Wang, K., Simanshu, D. K., Sinkevicius, K. W., Nissley, D. V., Wallace, E., McCormick, F., and Beltran, P. J. (2024) Discovery of BBO-8520, a first-in-class direct and covalent dual inhibitor of GTP-bound (ON) and GDP-bound (OFF) KRASG12C. Cancer Discov. 10.1158/2159-8290.CD-24-0840
Zhou, Y., Aliagas, I., Wang, S., Li, C. Sing, Liu, Z., Bowman, C. M., Burdick, D. J., Clark, K. R., Dening, T. J., Flygare, J., Ganti, A., Girgis, H. S., Hanan, E. J., Harris, S. F., Hu, C., Kapadia, S. B., Koehler, M. F. T., Lai, T., Liang, J., Liu, X., Ma, F., Mao, J., Nicolai, J., Sims, J., Unhayaker, S., Wai, J., Wang, X., Wu, P., Xu, Y., Yen, C. - W., Zhang, R., Elfert, T. F., Tan, M. - W., Kofoed, E. M., and Crawford, T. D. (2024) Discovery of potent dihydro-oxazinoquinolinone inhibitors of GuaB for the treatment of tuberculosis. Bioorg Med Chem Lett. 10.1016/j.bmcl.2024.130026
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
Ray, R., Mohamed, F. Amokrane N., Maurer, D. P., Huang, J., Alpay, B. A., Ronsard, L., Xie, Z., Han, J., Fernandez-Quintero, M., Phan, Q. Anh, Ursin, R. L., Vu, M., Kirsch, K. H., Prum, T., Rosado, V. C., Bracamonte-Moreno, T., Okonkwo, V., Bals, J., McCarthy, C., Nair, U., Kanekiyo, M., Ward, A. B., Schmidt, A. G., Batista, F. D., and Lingwood, D. (2024) Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses. Immunity. 57, 1141-1159.e11

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