Publications

Found 499 results
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2024
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
Lu-Culligan, W. J., Connor, L. J., Xie, Y., Ekundayo, B. E., Rose, B. T., Machyna, M., Pintado-Urbanc, A. P., Zimmer, J. T., Vock, I. W., Bhanu, N. V., King, M. C., Garcia, B. A., Bleichert, F., and Simon, M. D. (2023) Acetyl-methyllysine marks chromatin at active transcription start sites. Nature. 622, 173-179
Bosnakovski, D., Toso, E. A., Ener, E. T., Gearhart, M. D., Yin, L., Lüttmann, F. F., Magli, A., Shi, K., Kim, J., Aihara, H., and Kyba, M. (2023) Antagonism among DUX family members evolved from an ancestral toxic single homeodomain protein. iScience. 26, 107823
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
Li, Y., Slavik, K. M., Toyoda, H. C., Morehouse, B. R., Mann, C. C. de Olive, Elek, A., Levy, S., Wang, Z., Mears, K. S., Liu, J., Kashin, D., Guo, X., Mass, T., Sebé-Pedrós, A., Schwede, F., and Kranzusch, P. J. (2023) cGLRs are a diverse family of pattern recognition receptors in innate immunity. Cell. 186, 3261-3276.e20
Limón, L. K., Shi, K., Dao, A., Rugloski, J., Tompkins, K. J., Aihara, H., Gordon, W. R., and Evans, R. L. (2023) The crystal structure of the human smacovirus 1 Rep domain. Acta Crystallogr F Struct Biol Commun. 79, 295-300
Torres, S. Vázquez, J Y Leung, P., Venkatesh, P., Lutz, I. D., Hink, F., Huynh, H. - H., Becker, J., Yeh, A. Hsien- Wei, Juergens, D., Bennett, N. R., Hoofnagle, A. N., Huang, E., MacCoss, M. J., Expòsit, M., Lee, G. Rie, Bera, A. K., Kang, A., De La Cruz, J., Levine, P. M., Li, X., Lamb, M., Gerben, S. R., Murray, A., Heine, P., Korkmaz, E. Nihal, Nivala, J., Stewart, L., Watson, J. L., Rogers, J. M., and Baker, D. (2023) De novo design of high-affinity binders of bioactive helical peptides. Nature. 10.1038/s41586-023-06953-1
Sinatra, L., Vogelmann, A., Friedrich, F., Tararina, M. A., Neuwirt, E., Colcerasa, A., König, P., Toy, L., Yesiloglu, T. Z., Hilscher, S., Gaitzsch, L., Papenkordt, N., Zhai, S., Zhang, L., Romier, C., Einsle, O., Sippl, W., Schutkowski, M., Gross, O., Bendas, G., Christianson, D. W., Hansen, F. K., Jung, M., and Schiedel, M. (2023) Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation. J Med Chem. 66, 14787-14814
Kwak, S. - H., C Cochrane, S., Cho, J., Dome, P. A., Ennis, A. F., Kim, J. Hyun, Zhou, P., and Hong, J. (2023) Development of LpxH inhibitors chelating the active site di-manganese metal cluster of LpxH. ChemMedChem. 10.1002/cmdc.202300023
de Miranda, R., Cuthbert, B. J., Klevorn, T., Chao, A., Mendoza, J., Arbing, M., Sieminski, P. J., Papavinasasundaram, K., Abdul-Hafiz, S., Chan, S., Sassetti, C. M., Ehrt, S., and Goulding, C. W. (2023) Differentiating the roles of Mycobacterium tuberculosis substrate binding proteins, FecB and FecB2, in iron uptake. PLoS Pathog. 19, e1011650
Ryder, B. D., Boyer, D. R., Ustyantseva, E., Mendoza-Oliva, A., Kuska, M. I., Wydorski, P. M., Sawaya, M., Diamond, M. I., Eisenberg, D. S., Kampinga, H. H., and Joachimiak, L. A. (2023) DNAJB8 oligomerization is mediated by an aromatic-rich motif that is dispensable for substrate activity. bioRxiv. 10.1101/2023.03.06.531355
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

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