Publications

Found 512 results
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2024
Esler, M. A., Belica, C. A., Rollie, J. A., Brown, W. L., Moghadasi, S. Arad, Shi, K., Harki, D. A., Harris, R. S., and Aihara, H. (2024) A compact stem-loop DNA aptamer targets a uracil-binding pocket in the SARS-CoV-2 nucleocapsid RNA-binding domain. Nucleic Acids Res. 52, 13138-13151
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
Kumar, R. P., Matos, J. O., Black, B. Y., Ellenburg, W. H., Chen, J., Patterson, M. K., Gehtman, J. A., Theobald, D. L., Krauss, I. J., and Oprian, D. D. (2024) Crystal Structure of Caryolan-1-ol Synthase, a Sesquiterpene Synthase Catalyzing an Initial Anti-Markovnikov Cyclization Reaction. Biochemistry. 63, 2904-2915
Ennis, A. F., C Cochrane, S., Dome, P. A., Jeong, P., Yu, J., Lee, H., Williams, C. S., Ha, Y., Yang, W., Zhou, P., and Hong, J. (2024) Design and Evaluation of Pyridinyl Sulfonyl Piperazine LpxH Inhibitors with Potent Antibiotic Activity Against Enterobacterales. JACS Au. 4, 4383-4393
Tassoulas, L. J., Rankin, J. A., Elias, M. H., and Wackett, L. P. (2024) Dinickel enzyme evolved to metabolize the pharmaceutical metformin and its implications for wastewater and human microbiomes. Proc Natl Acad Sci U S A. 121, e2312652121
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
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
Moyer, A. P., Ramelot, T. A., Curti, M., Eastman, M. A., Kang, A., Bera, A. K., Tejero, R., Salveson, P. J., Curutchet, C., Romero, E., Montelione, G. T., and Baker, D. (2024) Enumerative Discovery of Noncanonical Polypeptide Secondary Structures. J Am Chem Soc. 146, 25501-25512
Münzker, L., Kimani, S. W., Fowkes, M. M., Dong, A., Zheng, H., Li, Y., Dasovich, M., Zak, K. M., Leung, A. K. L., Elkins, J. M., Kessler, D., Arrowsmith, C. H., Halabelian, L., and Böttcher, J. (2024) A ligand discovery toolbox for the WWE domain family of human E3 ligases. Commun Biol. 7, 901
Wittlinger, F., Ogboo, B. C., Shevchenko, E., Damghani, T., Pham, C. D., Schaeffner, I. K., Oligny, B. T., Chitnis, S. P., Beyett, T. S., Rasch, A., Buckley, B., Urul, D. A., Shaurova, T., May, E. W., Schaefer, E. M., Eck, M. J., Hershberger, P. A., Poso, A., Laufer, S. A., and Heppner, D. E. (2024) Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors. Commun Chem. 7, 38
Anderson, M. J. M., Hayward, A. N., Smiley, A. T., Shi, K., Pawlak, M. R., Aird, E. J., Grant, E., Greenberg, L., Aihara, H., Evans, R. L., Ulens, C., and Gordon, W. R. (2024) Molecular basis of proteolytic cleavage regulation by the extracellular matrix receptor dystroglycan. Structure. 32, 1984-1996.e5
Li, Z., Jiang, J., Ficarro, S. B., Beyett, T. S., To, C., Tavares, I., Zhu, Y., Li, J., Eck, M. J., Jänne, P. A., Marto, J. A., Zhang, T., Che, J., and Gray, N. S. (2024) Molecular Bidents with Two Electrophilic Warheads as a New Pharmacological Modality. ACS Cent Sci. 10, 1156-1166
Gama, F. H. de Souza, Dutra, L. A., Hawgood, M., Reis, C. Vinícius, Serafim, R. A. M., Ferreira, M. A., Teodoro, B. V. M., Takarada, J. Emi, Santiago, A. S., Balourdas, D. - I., Nilsson, A. - S., Urien, B., Almeida, V. M., Gileadi, C., Ramos, P. Z., Salmazo, A., Vasconcelos, S. N. S., Cunha, M. R., Mueller, S., Knapp, S., Massirer, K. B., Elkins, J. M., Gileadi, O., Mascarello, A., Lemmens, B. B. L. G., Guimarães, C. R. W., Azevedo, H., and Couñago, R. M. (2024) Novel Dihydropteridinone Derivatives As Potent Inhibitors of the Understudied Human Kinases Vaccinia-Related Kinase 1 and Casein Kinase 1δ/ε.. J Med Chem. 67, 8609-8629
Scott, D. C., Dharuman, S., Griffith, E., Chai, S. C., Ronnebaum, J., King, M. T., Tangallapally, R., Lee, C., Gee, C. T., Yang, L., Li, Y., Loudon, V. C., Lee, H. Won, Ochoada, J., Miller, D. J., Jayasinghe, T., Paulo, J. A., Elledge, S. J., J Harper, W., Chen, T., Lee, R. E., and Schulman, B. A. (2024) Principles of paralog-specific targeted protein degradation engaging the C-degron E3 KLHDC2. Nat Commun. 15, 8829
Hsiao, Y. - C., Wallweber, H. Ackerly, Alberstein, R. G., Lin, Z., Du, C., Etxeberria, A., Aung, T., Shang, Y., Seshasayee, D., Seeger, F., Watkins, A. M., Hansen, D. V., Bohlen, C. J., Hsu, P. L., and Hötzel, I. (2024) Rapid affinity optimization of an anti-TREM2 clinical lead antibody by cross-lineage immune repertoire mining. Nat Commun. 15, 8382
Mills, K. B., Maciag, J. J., Wang, C., Crawford, J. A., Enroth, T. J., Keim, K. C., Dufrêne, Y. F., D Robinson, A., Fey, P. D., Herr, A. B., and Horswill, A. R. (2024) Staphylococcus aureus skin colonization is mediated by SasG lectin variation. Cell Rep. 43, 114022
Beyett, T. S., Rana, J. K., Schaeffner, I. K., Heppner, D. E., and Eck, M. J. (2024) Structural Analysis of the Macrocyclic Inhibitor BI-4020 Binding to EGFR Kinase. ChemMedChem. 19, e202300343
Scott, D. C., Chittori, S., Purser, N., King, M. T., Maiwald, S. A., Churion, K., Nourse, A., Lee, C., Paulo, J. A., Miller, D. J., Elledge, S. J., J Harper, W., Kleiger, G., and Schulman, B. A. (2024) Structural basis for C-degron selectivity across KLHDCX family E3 ubiquitin ligases. Nat Commun. 15, 9899
Shi, K., Bagchi, S., Bickel, J., Esfahani, S. H., Yin, L., Cheng, T., Karamyan, V. T., and Aihara, H. (2024) Structural basis of divergent substrate recognition and inhibition of human neurolysin. Sci Rep. 14, 18420
Gilleran, J. A., Ashraf, K., Delvillar, M., Eck, T., Fondekar, R., Miller, E. B., Hutchinson, A., Dong, A., Seitova, A., De Souza, M. Laureano, Augeri, D., Halabelian, L., Siekierka, J., Rotella, D. P., Gordon, J., Childers, W. E., Grier, M. C., Staker, B. L., Roberge, J. Y., and Bhanot, P. (2024) Structure-Activity Relationship of a Pyrrole Based Series of PfPKG Inhibitors as Anti-Malarials. J Med Chem. 67, 3467-3503
Li, Z., Lu, W., Beyett, T. S., Ficarro, S. B., Jiang, J., Tse, J., Kim, A. Yong- Ju, Marto, J. A., Che, J., Jänne, P. A., Eck, M. J., Zhang, T., and Gray, N. S. (2024) ZNL0325, a Pyrazolopyrimidine-Based Covalent Probe, Demonstrates an Alternative Binding Mode for Kinases. J Med Chem. 67, 2837-2848
2023
Li, Z., Wang, S., Nattermann, U., Bera, A. K., Borst, A. J., Yaman, M. Y., Bick, M. J., Yang, E. C., Sheffler, W., Lee, B., Seifert, S., Hura, G. L., Nguyen, H., Kang, A., Dalal, R., Lubner, J. M., Hsia, Y., Haddox, H., Courbet, A., Dowling, Q., Miranda, M., Favor, A., Etemadi, A., Edman, N. I., Yang, W., Weidle, C., Sankaran, B., Negahdari, B., Ross, M. B., Ginger, D. S., and Baker, D. (2023) Accurate computational design of three-dimensional protein crystals. Nat Mater. 10.1038/s41563-023-01683-1
Li, Z., Wang, S., Nattermann, U., Bera, A. K., Borst, A. J., Yaman, M. Y., Bick, M. J., Yang, E. C., Sheffler, W., Lee, B., Seifert, S., Hura, G. L., Nguyen, H., Kang, A., Dalal, R., Lubner, J. M., Hsia, Y., Haddox, H., Courbet, A., Dowling, Q., Miranda, M., Favor, A., Etemadi, A., Edman, N. I., Yang, W., Weidle, C., Sankaran, B., Negahdari, B., Ross, M. B., Ginger, D. S., and Baker, D. (2023) Accurate computational design of three-dimensional protein crystals. Nat Mater. 10.1038/s41563-023-01683-1

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