Publications

Found 955 results
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2025
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
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
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
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
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
Liu, H., Zask, A., Forouhar, F., Iketani, S., Williams, A., Vaz, D. R., Habashi, D., Choi, K., Resnick, S. J., Hong, S. Jung, Lovett, D. H., Bai, T., Chavez, A., Ho, D. D., and Stockwell, B. R. (2025) Development of small molecule non-covalent coronavirus 3CL protease inhibitors from DNA-encoded chemical library screening. Nat Commun. 16, 152
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
Ma, J., Ayres, C. M., Brambley, C. A., Chandran, S. S., Rosales, T. J., Perera, W. W. J. Gihan, Eldaly, B., Murray, W. T., Corcelli, S. A., Kovrigin, E. L., Klebanoff, C. A., and Baker, B. M. (2025) Dynamic allostery in the peptide/MHC complex enables TCR neoantigen selectivity. Nat Commun. 16, 849
Slezak, T., O'Leary, K. M., Li, J., Rohaim, A., Davydova, E. K., and Kossiakoff, A. A. (2025) Engineered protein G variants for multifunctional antibody-based assemblies. Protein Sci. 34, e70019
Stopper, D., Biermann, L., Watson, P. R., Li, J., König, B., Gaynes, M. N., de Carvalho, L. Pessanha, Klose, J., Hanl, M., Hamacher, A., Schäker-Hübner, L., Ramsbeck, D., Held, J., Christianson, D. W., Kassack, M. U., and Hansen, F. K. (2025) Exploring Alternative Zinc-Binding Groups in Histone Deacetylase (HDAC) Inhibitors Uncovers as a Potent Ethylhydrazide-Based HDAC Inhibitor with Chemosensitizing Properties. J Med Chem. 10.1021/acs.jmedchem.4c02373
Hazari, A., Sawaya, M. R., Lee, H., Sajimon, M., Kim, H., Iii, W. A. Goddard, Eisenberg, D., and Raskatov, J. A. (2025) Formation of rippled β-sheets from mixed chirality linear and cyclic peptides-new structural motifs based on the pauling-corey rippled β-sheet.. Chem Sci. 16, 5907-5917
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
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
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
Kubeš, J., Karabanovich, G., Cong, A. T. Q., Melnikova, I., Lenčová, O., Kollárová, P., Piskáčková, H. Bavlovič, Keresteš, V., Applová, L., Arrouye, L. C. M., Alvey, J. R., Paluncic, J., Witter, T. L., Jirkovská, A., Kuneš, J., Štěrbová-Kovaříková, P., Austin, C. A., Štěrba, M., Šimůnek, T., Roh, J., and Schellenberg, M. J. (2025) Topobexin targets the Topoisomerase II ATPase domain for beta isoform-selective inhibition and anthracycline cardioprotection. Nat Commun. 16, 4928
2024
Rechkoblit, O., Sciaky, D., Kreitler, D. F., Buku, A., Kottur, J., and Aggarwal, A. K. (2024) Activation of CBASS Cap5 endonuclease immune effector by cyclic nucleotides. Nat Struct Mol Biol. 10.1038/s41594-024-01220-x
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
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
Zhao, H., Beyett, T. S., Jiang, J., Rana, J. K., Schaeffner, I. K., Santana, J., Jänne, P. A., and Eck, M. J. (2024) Biochemical analysis of EGFR exon20 insertion variants insASV and insSVD and their inhibitor sensitivity. Proc Natl Acad Sci U S A. 121, e2417144121
Owens, D. D. G., Maitland, M. E. R., Yazdi, A. Khalili, Song, X., Reber, V., Schwalm, M. P., Machado, R. A. C., Bauer, N., Wang, X., Szewczyk, M. M., Dong, C., Dong, A., Loppnau, P., Calabrese, M. F., Dowling, M. S., Lee, J., Montgomery, J. I., O'Connell, T. N., Subramanyam, C., Wang, F., Adamson, E. C., Schapira, M., Gstaiger, M., Knapp, S., Vedadi, M., Min, J., Lajoie, G. A., Barsyte-Lovejoy, D., Owen, D. R., Schild-Poulter, C., and Arrowsmith, C. H. (2024) A chemical probe to modulate human GID4 Pro/N-degron interactions. Nat Chem Biol. 10.1038/s41589-024-01618-0
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

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