Publications

Found 868 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
McLaughlin, J. E., Rudolph, M. J., Dutta, A., Li, X. - P., Tsymbal, A. M., Chen, Y., Bhattacharya, S., Algava, B., Goger, M., Roberge, J. Y., and Tumer, N. E. (2025) Binding of small molecules at the P-stalk site of ricin A subunit trigger conformational changes that extend into the active site. J Biol Chem. 10.1016/j.jbc.2025.108310
McLaughlin, J. E., Rudolph, M. J., Dutta, A., Li, X. - P., Tsymbal, A. M., Chen, Y., Bhattacharya, S., Algava, B., Goger, M., Roberge, J. Y., and Tumer, N. E. (2025) Binding of small molecules at the P-stalk site of ricin A subunit trigger conformational changes that extend into the active site. J Biol Chem. 10.1016/j.jbc.2025.108310
Jangra, M., Travin, D. Y., Aleksandrova, E. V., Kaur, M., Darwish, L., Koteva, K., Klepacki, D., Wang, W., Tiffany, M., Sokaribo, A., Coombes, B. K., Vázquez-Laslop, N., Polikanov, Y. S., Mankin, A. S., and Wright, G. D. (2025) A broad-spectrum lasso peptide antibiotic targeting the bacterial ribosome. Nature. 10.1038/s41586-025-08723-7
Jangra, M., Travin, D. Y., Aleksandrova, E. V., Kaur, M., Darwish, L., Koteva, K., Klepacki, D., Wang, W., Tiffany, M., Sokaribo, A., Coombes, B. K., Vázquez-Laslop, N., Polikanov, Y. S., Mankin, A. S., and Wright, G. D. (2025) A broad-spectrum lasso peptide antibiotic targeting the bacterial ribosome. Nature. 10.1038/s41586-025-08723-7
Robles, J. Torres, Stiegler, A. L., Boggon, T. J., and Turk, B. E. (2025) Cancer hotspot mutations rewire ERK2 specificity by selective exclusion of docking interactions. J Biol Chem. 10.1016/j.jbc.2025.108348
Qiu, W., Trinh, T. Kim Hoang, Catalano, C., Mehta, A., Desai, U. R., Kellogg, G. E., Hendrickson, W. A., and Guo, Y. (2025) Cholesterol-dependent enzyme activity of human TSPO1. Proc Natl Acad Sci U S A. 122, e2323045122
Torres, S. Vázquez, Valle, M. Benard, Mackessy, S. P., Menzies, S. K., Casewell, N. R., Ahmadi, S., Burlet, N. J., Muratspahić, E., Sappington, I., Overath, M. D., Rivera-de-Torre, E., Ledergerber, J., Laustsen, A. H., Boddum, K., Bera, A. K., Kang, A., Brackenbrough, E., Cardoso, I. A., Crittenden, E. P., Edge, R. J., Decarreau, J., Ragotte, R. J., Pillai, A. S., Abedi, M., Han, H. L., Gerben, S. R., Murray, A., Skotheim, R., Stuart, L., Stewart, L., Fryer, T. J. A., Jenkins, T. P., and Baker, D. (2025) De novo designed proteins neutralize lethal snake venom toxins. Nature. 10.1038/s41586-024-08393-x
Miranda, R., Anson, F., Smith, S. T., Ultsch, M., Tenorio, C. A., Rougé, L., Farrell, B., Adaligil, E., Holden, J. K., Harris, S. F., and Dueber, E. C. (2025) Discovery and characterization of potent macrocycle inhibitors of ubiquitin-specific protease-7. Structure. 10.1016/j.str.2025.01.021
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
Fullenkamp, C. R., Mehdi, S., Jones, C. P., Tenney, L., Pichling, P., Prestwood, P. R., Ferré-D'Amaré, A. R., Tiwary, P., and Schneekloth, J. S. (2025) Machine Learning-Augmented Molecular Dynamics Simulations (MD) Reveal Insights Into the Disconnect Between Affinity and Activation of ZTP Riboswitch Ligands. Angew Chem Int Ed Engl. 10.1002/anie.202505971
Fullenkamp, C. R., Mehdi, S., Jones, C. P., Tenney, L., Pichling, P., Prestwood, P. R., Ferré-D'Amaré, A. R., Tiwary, P., and Schneekloth, J. S. (2025) Machine Learning-Augmented Molecular Dynamics Simulations (MD) Reveal Insights Into the Disconnect Between Affinity and Activation of ZTP Riboswitch Ligands. Angew Chem Int Ed Engl. 10.1002/anie.202505971
Mahoney, B. J., Lyman, L. R., Ford, J., Soule, J., Cheung, N. A., Goring, A. K., Ellis-Guardiola, K., Collazo, M. J., Cascio, D., Ton-That, H., Schmitt, M. P., and Clubb, R. T. (2025) Molecular basis of hemoglobin binding and heme removal in Corynebacterium diphtheriae. Proc Natl Acad Sci U S A. 122, e2411833122
Schwartze, T. A., Morosky, S. A., Rosato, T. L., Henrickson, A., Lin, G., Hinck, C. S., Taylor, A. B., Olsen, S. K., Calero, G., Demeler, B., Roman, B. L., and Hinck, A. P. (2025) Molecular Basis of Interchain Disulfide Bond Formation in BMP-9 and BMP-10. J Mol Biol. 437, 168935
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
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
Trasviña-Arenas, C. H., Dissanayake, U. C., Tamayo, N., Hashemian, M., Lin, W. - J., Demir, M., Hoyos-Gonzalez, N., Fisher, A. J., G Cisneros, A., Horvath, M. P., and David, S. S. (2025) Structure of human MUTYH and functional profiling of cancer-associated variants reveal an allosteric network between its [4Fe-4S] cluster cofactor and active site required for DNA repair. Nat Commun. 16, 3596
Trasviña-Arenas, C. H., Dissanayake, U. C., Tamayo, N., Hashemian, M., Lin, W. - J., Demir, M., Hoyos-Gonzalez, N., Fisher, A. J., G Cisneros, A., Horvath, M. P., and David, S. S. (2025) Structure of human MUTYH and functional profiling of cancer-associated variants reveal an allosteric network between its [4Fe-4S] cluster cofactor and active site required for DNA repair. Nat Commun. 16, 3596
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
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
Ackloo, S., Li, F., Szewczyk, M., Seitova, A., Loppnau, P., Zeng, H., Xu, J., Ahmad, S., Arnautova, Y. A., Baghaie, A. J., Beldar, S., Bolotokova, A., Centrella, P. A., Chau, I., Clark, M. A., Cuozzo, J. W., Dehghani-Tafti, S., Disch, J. S., Dong, A., Dumas, A., Feng, J. A., Ghiabi, P., Gibson, E., Gilmer, J., Goldman, B., Green, S. R., Guié, M. - A., Guilinger, J. P., Harms, N., Herasymenko, O., Houliston, S., Hutchinson, A., Kearnes, S., Keefe, A. D., Kimani, S. W., Kramer, T., Kutera, M., Kwak, H. A., Lento, C., Li, Y., Liu, J., Loup, J., Machado, R. A. C., Mulhern, C. J., Perveen, S., Righetto, G. L., Riley, P., Shrestha, S., Sigel, E. A., Silva, M., Sintchak, M. D., Slakman, B. L., Taylor, R. D., Thompson, J., Torng, W., Underkoffler, C., von Rechenberg, M., Walsh, R. T., Watson, I., Wilson, D. J., Wolf, E., Yadav, M., Yazdi, A. K., Zhang, J., Zhang, Y., Santhakumar, V., Edwards, A. M., Barsyte-Lovejoy, D., Schapira, M., Brown, P. J., Halabelian, L., and Arrowsmith, C. H. (2025) A Target Class Ligandability Evaluation of WD40 Repeat-Containing Proteins. J Med Chem. 68, 1092-1112
Ackloo, S., Li, F., Szewczyk, M., Seitova, A., Loppnau, P., Zeng, H., Xu, J., Ahmad, S., Arnautova, Y. A., Baghaie, A. J., Beldar, S., Bolotokova, A., Centrella, P. A., Chau, I., Clark, M. A., Cuozzo, J. W., Dehghani-Tafti, S., Disch, J. S., Dong, A., Dumas, A., Feng, J. A., Ghiabi, P., Gibson, E., Gilmer, J., Goldman, B., Green, S. R., Guié, M. - A., Guilinger, J. P., Harms, N., Herasymenko, O., Houliston, S., Hutchinson, A., Kearnes, S., Keefe, A. D., Kimani, S. W., Kramer, T., Kutera, M., Kwak, H. A., Lento, C., Li, Y., Liu, J., Loup, J., Machado, R. A. C., Mulhern, C. J., Perveen, S., Righetto, G. L., Riley, P., Shrestha, S., Sigel, E. A., Silva, M., Sintchak, M. D., Slakman, B. L., Taylor, R. D., Thompson, J., Torng, W., Underkoffler, C., von Rechenberg, M., Walsh, R. T., Watson, I., Wilson, D. J., Wolf, E., Yadav, M., Yazdi, A. K., Zhang, J., Zhang, Y., Santhakumar, V., Edwards, A. M., Barsyte-Lovejoy, D., Schapira, M., Brown, P. J., Halabelian, L., and Arrowsmith, C. H. (2025) A Target Class Ligandability Evaluation of WD40 Repeat-Containing Proteins. J Med Chem. 68, 1092-1112
Ackloo, S., Li, F., Szewczyk, M., Seitova, A., Loppnau, P., Zeng, H., Xu, J., Ahmad, S., Arnautova, Y. A., Baghaie, A. J., Beldar, S., Bolotokova, A., Centrella, P. A., Chau, I., Clark, M. A., Cuozzo, J. W., Dehghani-Tafti, S., Disch, J. S., Dong, A., Dumas, A., Feng, J. A., Ghiabi, P., Gibson, E., Gilmer, J., Goldman, B., Green, S. R., Guié, M. - A., Guilinger, J. P., Harms, N., Herasymenko, O., Houliston, S., Hutchinson, A., Kearnes, S., Keefe, A. D., Kimani, S. W., Kramer, T., Kutera, M., Kwak, H. A., Lento, C., Li, Y., Liu, J., Loup, J., Machado, R. A. C., Mulhern, C. J., Perveen, S., Righetto, G. L., Riley, P., Shrestha, S., Sigel, E. A., Silva, M., Sintchak, M. D., Slakman, B. L., Taylor, R. D., Thompson, J., Torng, W., Underkoffler, C., von Rechenberg, M., Walsh, R. T., Watson, I., Wilson, D. J., Wolf, E., Yadav, M., Yazdi, A. K., Zhang, J., Zhang, Y., Santhakumar, V., Edwards, A. M., Barsyte-Lovejoy, D., Schapira, M., Brown, P. J., Halabelian, L., and Arrowsmith, C. H. (2025) A Target Class Ligandability Evaluation of WD40 Repeat-Containing Proteins. J Med Chem. 68, 1092-1112

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