Publications

Miller, J. E., Agdanowski, M. P., Dolinsky, J. L., Sawaya, M. R., Cascio, D., Rodriguez, J. A., and Yeates, T. O. (2024) AlphaFold-assisted structure determination of a bacterial protein of unknown function using X-ray and electron crystallography. Acta Crystallogr D Struct Biol. 80, 270-278
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
Rudolph, M. J., Dutta, A., Tsymbal, A. M., McLaughlin, J. E., Chen, Y., Davis, S. A., Theodorous, S. A., Pierce, M., Algava, B., Zhang, X., Szekely, Z., Roberge, J. Y., Li, X. - P., and Tumer, N. E. (2024) Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin. Bioorg Med Chem. 100, 117614
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
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
Krochmal, D., Roman, C., Lewicka, A., Shao, Y., and Piccirilli, J. A. (2024) Structural basis for promiscuity in ligand recognition by yjdF riboswitch. Cell Discov. 10, 37
Palani, S., Machida, Y., Alvey, J. R., Mishra, V., Welter, A. L., Cui, G., Bragantini, B., Botuyan, M. Victoria, Cong, A. T. Q., Mer, G., Schellenberg, M. J., and Machida, Y. J. (2024) Dimerization-dependent serine protease activity of FAM111A prevents replication fork stalling at topoisomerase 1 cleavage complexes. Nat Commun. 15, 2064
Lee, K., Perry, K., Xu, M., Veillard, I., Kumar, R., Rao, T. Dharma, Rueda, B. R., Spriggs, D. R., and Yeku, O. O. (2024) Structural basis for antibody recognition of the proximal MUC16 ectodomain. J Ovarian Res. 17, 41
Meeks, K. R., Ji, J., Protopopov, M. V., Tarkhanova, O. O., Moroz, Y. S., and Tanner, J. J. (2024) Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography. J Chem Inf Model. 64, 1704-1718
Aziz, F., Reddy, K., Vega, V. Fernandez, Dey, R., Hicks, K. A., Rao, S., Jordan, L. Ortiz, Smith, E., Shumate, J., Scampavia, L., Carpino, N., Spicer, T. P., and French, J. B. (2024) Rebamipide and Derivatives are Potent, Selective Inhibitors of Histidine Phosphatase Activity of the Suppressor of T Cell Receptor Signaling Proteins. J Med Chem. 67, 1949-1960
Priest, J. M., Nichols, E. L., Smock, R. G., Hopkins, J. B., Mendoza, J. L., Meijers, R., Shen, K., and zkan, E. Ö. (2024) Structural insights into the formation of repulsive netrin guidance complexes. Sci Adv. 10, eadj8083
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
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
Liu, S., Yeh, C., Reavill, C., Jones, B., Zou, Y., and Hai, Y. (2024) Molecular and structural basis for Cγ-C bond formation by PLP-dependent enzyme Fub7.. Angew Chem Int Ed Engl. 10.1002/anie.202317161
Tamilselvan, E., and Sotomayor, M. (2024) CELSR1, a core planar cell polarity protein, features a weakly adhesive and flexible cadherin ectodomain. Structure. 10.1016/j.str.2024.01.003
Ojha, M., Vogt, J., Das, N. Krishna, Redmond, E., Singh, K., Banna, H. Al, Sadat, T., and Koirala, D. (2024) Structure of saguaro cactus virus 3' translational enhancer mimics 5' cap for eIF4E binding. Proc Natl Acad Sci U S A. 121, e2313677121
Draganova, E. B., Wang, H., Wu, M., Liao, S., Vu, A., Del Pino, G. L. Gonzalez, Z Zhou, H., Roller, R. J., and Heldwein, E. E. (2024) The universal suppressor mutation restores membrane budding defects in the HSV-1 nuclear egress complex by stabilizing the oligomeric lattice. PLoS Pathog. 20, e1011936
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
Sankhala, R. S., Lal, K. G., Jensen, J. L., Dussupt, V., Mendez-Rivera, L., Bai, H., Wieczorek, L., Mayer, S. V., Zemil, M., Wagner, D. A., Townsley, S. M., Hajduczki, A., Chang, W. C., Chen, W. - H., Donofrio, G. C., Jian, N., King, H. A. D., Lorang, C. G., Martinez, E. J., Rees, P. A., Peterson, C. E., Schmidt, F., Hart, T. J., Duso, D. K., Kummer, L. W., Casey, S. P., Williams, J. K., Kannan, S., Slike, B. M., Smith, L., Swafford, I., Thomas, P. V., Tran, U., Currier, J. R., Bolton, D. L., Davidson, E., Doranz, B. J., Hatziioannou, T., Bieniasz, P. D., Paquin-Proulx, D., Reiley, W. W., Rolland, M., Sullivan, N. J., Vasan, S., Collins, N. D., Modjarrad, K., Gromowski, G. D., Polonis, V. R., Michael, N. L., Krebs, S. J., and M Joyce, G. (2024) Diverse array of neutralizing antibodies elicited upon Spike Ferritin Nanoparticle vaccination in rhesus macaques. Nat Commun. 15, 200
Yirmiya, E., Leavitt, A., Lu, A., Ragucci, A. E., Avraham, C., Osterman, I., Garb, J., Antine, S. P., Mooney, S. E., Hobbs, S. J., Kranzusch, P. J., Amitai, G., and Sorek, R. (2024) Phages overcome bacterial immunity via diverse anti-defence proteins. Nature. 625, 352-359
Baca, C. F., Yu, Y., Rostøl, J. T., Majumder, P., Patel, D. J., and Marraffini, L. A. (2024) The CRISPR effector Cam1 mediates membrane depolarization for phage defence. Nature. 10.1038/s41586-023-06902-y
Phelps, G. A., Cheramie, M. N., Fernando, D. M., Selchow, P., Meyer, C. J., Waidyarachchi, S. L., Dharuman, S., Liu, J., Meuli, M., Dal Molin, M., Killam, B. Y., Murphy, P. A., Reeve, S. M., Wilt, L. A., Anderson, S. M., Yang, L., Lee, R. B., Temrikar, Z. H., Lukka, P. B., Meibohm, B., Polikanov, Y. S., Hobbie, S. N., Böttger, E. C., Sander, P., and Lee, R. E. (2024) Development of 2nd generation aminomethyl spectinomycins that overcome native efflux in abscessus. Proc Natl Acad Sci U S A. 121, e2314101120
Bhattacharjee, D., Bakar, J., Chitnis, S. P., Sausville, E. L., Ashtekar, K. Dilip, Mendelson, B. E., Long, K., Smith, J. C., Heppner, D. E., and Sheltzer, J. M. (2023) Inhibition of a lower potency target drives the anticancer activity of a clinical p38 inhibitor. Cell Chem Biol. 30, 1211-1222.e5
Scott, D. C., King, M. T., Baek, K., Gee, C. T., Kalathur, R., Li, J., Purser, N., Nourse, A., Chai, S. C., Vaithiyalingam, S., Chen, T., Lee, R. E., Elledge, S. J., Kleiger, G., and Schulman, B. A. (2023) E3 ligase autoinhibition by C-degron mimicry maintains C-degron substrate fidelity. Mol Cell. 83, 770-786.e9
Mahbub, L., Kozlov, G., Zong, P., Lee, E. L., Tetteh, S., Nethramangalath, T., Knorn, C., Jiang, J., Shahsavan, A., Yue, L., Runnels, L., and Gehring, K. (2023) Structural insights into regulation of CNNM-TRPM7 divalent cation uptake by the small GTPase ARL15. Elife. 10.7554/eLife.86129
Lemma, B., Zhang, D., Vamisetti, G. B., Wentz, B. G., Suga, H., Brik, A., Lubkowski, J., and Fushman, D. (2023) Mechanism of selective recognition of Lys48-linked polyubiquitin by macrocyclic peptide inhibitors of proteasomal degradation. Nat Commun. 14, 7212
Yang, M. Hee, Tran, T. H., Hunt, B., Agnor, R., Johnson, C. W., Shui, B., Waybright, T. J., Nowak, J. A., Stephen, A. G., Simanshu, D. K., and Haigis, K. M. (2023) Allosteric Regulation of Switch-II Domain Controls KRAS Oncogenicity. Cancer Res. 83, 3176-3183
Mikhaylov, V., Brambley, C. A., Keller, G. L. J., Arbuiso, A. G., Weiss, L. I., Baker, B. M., and Levine, A. J. (2023) Accurate modeling of peptide-MHC structures with AlphaFold. Structure. 10.1016/j.str.2023.11.011
Ahmad, S., Xu, J., Feng, J. A., Hutchinson, A., Zeng, H., Ghiabi, P., Dong, A., Centrella, P. A., Clark, M. A., Guié, M. - A., Guilinger, J. P., Keefe, A. D., Zhang, Y., Cerruti, T., Cuozzo, J. W., von Rechenberg, M., Bolotokova, A., Li, Y., Loppnau, P., Seitova, A., Li, Y. - Y., Santhakumar, V., Brown, P. J., Ackloo, S., and Halabelian, L. (2023) Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J Med Chem. 66, 16051-16061
Sankhala, R. S., Dussupt, V., Chen, W. - H., Bai, H., Martinez, E. J., Jensen, J. L., Rees, P. A., Hajduczki, A., Chang, W. C., Choe, M., Yan, L., Sterling, S. L., Swafford, I., Kuklis, C., Soman, S., King, J., Corbitt, C., Zemil, M., Peterson, C. E., Mendez-Rivera, L., Townsley, S. M., Donofrio, G. C., Lal, K. G., Tran, U., Green, E. C., Smith, C., de Val, N., Laing, E. D., Broder, C. C., Currier, J. R., Gromowski, G. D., Wieczorek, L., Rolland, M., Paquin-Proulx, D., van Dyk, D., Britton, Z., Rajan, S., Loo, Y. Ming, McTamney, P. M., Esser, M. T., Polonis, V. R., Michael, N. L., Krebs, S. J., Modjarrad, K., and M Joyce, G. (2023) Antibody targeting of conserved sites of vulnerability on the SARS-CoV-2 spike receptor-binding domain. Structure. 10.1016/j.str.2023.11.015
Casanova-Sepúlveda, G., Sexton, J. A., Turk, B. E., and Boggon, T. J. (2023) Autoregulation of the LIM kinases by their PDZ domain. Nat Commun. 14, 8441
Tessier, T. M., Chowdhury, A., Stekel, Z., Fux, J., Sartori, M. Augusta, Teyra, J., Jarvik, N., Chung, J., Kurinov, I., Sicheri, F., Sidhu, S. S., Singer, A. U., and Zhang, W. (2023) Structural and functional validation of a highly specific Smurf2 inhibitor. Protein Sci. 10.1002/pro.4885
Jacewicz, A., Dantuluri, S., and Shuman, S. (2023) Structural basis for Tpt1-catalyzed 2'-PO transfer from RNA and NADP(H) to NAD. Proc Natl Acad Sci U S A. 120, e2312999120
Kimani, S. W., Perveen, S., Szewezyk, M., Zeng, H., Dong, A., Li, F., Ghiabi, P., Li, Y., Chau, I., Arrowsmith, C. H., Barsyte-Lovejoy, D., Santhakumar, V., Vedadi, M., and Halabelian, L. (2023) The co-crystal structure of Cbl-b and a small-molecule inhibitor reveals the mechanism of Cbl-b inhibition. Commun Biol. 6, 1272
Custodio, J. M., Ayres, C. M., Rosales, T. J., Brambley, C. A., Arbuiso, A. G., Landau, L. M., Keller, G. L. J., Srivastava, P. K., and Baker, B. M. (2023) Structural and physical features that distinguish tumor-controlling from inactive cancer neoepitopes. Proc Natl Acad Sci U S A. 120, e2312057120

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