Publications

Found 659 results
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2024
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
Lu, X., Passalacqua, L. F. M., Nodwell, M., Kong, K. Y. S., Caballero-García, G., Dolgosheina, E. V., Ferré-D'Amaré, A. R., Britton, R., and Unrau, P. J. (2024) Symmetry breaking of fluorophore binding to a G-quadruplex generates an RNA aptamer with picomolar KD. Nucleic Acids Res. 52, 8039-8051
Banayan, N. E., Loughlin, B. J., Singh, S., Forouhar, F., Lu, G., Wong, K. - H., Neky, M., Hunt, H. S., Bateman, L. B., Tamez, A., Handelman, S. K., W Price, N., and Hunt, J. F. (2024) Systematic enhancement of protein crystallization efficiency by bulk lysine-to-arginine (KR) substitution. Protein Sci. 33, e4898
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
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
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
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
Paul, M. E., Chen, D., Vish, K. J., Lartey, N. L., Hughes, E., Freeman, Z. T., Saunders, T. L., Stiegler, A. L., King, P. D., and Boggon, T. J. (2025) The C2 domain augments Ras GTPase-activating protein catalytic activity. Proc Natl Acad Sci U S A. 122, e2418433122
Justen, S. F., Fenwick, M. K., Axt, K. K., Cherry, J. A., Ealick, S. E., and Philmus, B. (2025) Crystal Structure, Modeling, and Identification of Key Residues Provide Insights into the Mechanism of the Key Toxoflavin Biosynthesis Protein ToxD. Biochemistry. 10.1021/acs.biochem.4c00421
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
Bergman, H. M., Fan, A. T., Jones, C. G., Rothenberger, A. J., Jha, K. K., Handford, R. C., Nelson, H. M., Liu, Y., and T Tilley, D. (2025) Discovery of an Interlocked and Interwoven Molecular Topology in Nanocarbons via Dynamic C-C Bond Formation. J Am Chem Soc. 147, 19132-19138
Nguyen, B. V., Özden, C., Dong, K., Koc, O. Can, Torres-Ocampo, A. P., Dziedzic, N., Flaherty, D., Huang, J., Sankara, S., Abromson, N. Lyn, Tomchick, D. R., Fissore, R. A., Chen, J., Garman, S. C., and Stratton, M. M. (2025) A domain-swapped CaMKII conformation facilitates linker-mediated allosteric regulation. Nat Commun. 16, 8461
Nguyen, B. V., Özden, C., Dong, K., Koc, O. Can, Torres-Ocampo, A. P., Dziedzic, N., Flaherty, D., Huang, J., Sankara, S., Abromson, N. Lyn, Tomchick, D. R., Fissore, R. A., Chen, J., Garman, S. C., and Stratton, M. M. (2025) A domain-swapped CaMKII conformation facilitates linker-mediated allosteric regulation. Nat Commun. 16, 8461
Pallapati, A. R., Korkmaz, F., Rojekar, S., Sims, S., Misra, A., Gimenez-Roig, J., Gangadhar, A., Laurencin, V., Gumerova, A., Cheliadinova, U., Sultana, F., Vasilyeva, D., Cullen, L., Schuermann, J., Munitz, J., Kannangara, H., Parte, S., Pevnev, G., Burganova, G., Tumoglu, Z., Witztum, R., Wizman, S., Kramskiy, N., Igel, L., Sen, F., Ranzenigo, A., Macdonald, A., Hutchison, S., Teunissen, A. Jp, Burkart, H., Saxena, M., Ginzburg, Y., Goosens, K., Zhou, W., Ryu, V., Moldavski, O., Barak, O., Pazianas, M., Caminis, J., Bhasin, S., Fitzgerald, R., Kim, S. - M., Quinn, M., Haider, S., Appt, S., Frolinger, T., Rosen, C. J., Lizneva, D., Gupta, Y. K., Yuen, T., and Zaidi, M. (2025) Efficacy and safety of a therapeutic humanized FSH-blocking antibody in obesity and Alzheimer's disease models. J Clin Invest. 10.1172/JCI182702
Pallapati, A. R., Korkmaz, F., Rojekar, S., Sims, S., Misra, A., Gimenez-Roig, J., Gangadhar, A., Laurencin, V., Gumerova, A., Cheliadinova, U., Sultana, F., Vasilyeva, D., Cullen, L., Schuermann, J., Munitz, J., Kannangara, H., Parte, S., Pevnev, G., Burganova, G., Tumoglu, Z., Witztum, R., Wizman, S., Kramskiy, N., Igel, L., Sen, F., Ranzenigo, A., Macdonald, A., Hutchison, S., Teunissen, A. Jp, Burkart, H., Saxena, M., Ginzburg, Y., Goosens, K., Zhou, W., Ryu, V., Moldavski, O., Barak, O., Pazianas, M., Caminis, J., Bhasin, S., Fitzgerald, R., Kim, S. - M., Quinn, M., Haider, S., Appt, S., Frolinger, T., Rosen, C. J., Lizneva, D., Gupta, Y. K., Yuen, T., and Zaidi, M. (2025) Efficacy and safety of a therapeutic humanized FSH-blocking antibody in obesity and Alzheimer's disease models. J Clin Invest. 10.1172/JCI182702
Słabicki, M., Park, J., Nowak, R. P., Burman, S. S. Roy, Pellman, J., Zou, C., Razumkov, H., Carreiro, J., Rastogi, S., Goldstein, A., Nagiec, M. M., Donovan, K. A., Che, J., Hunkeler, M., Geng, Q., Hsu, C. - L., Lakshminarayan, M., Shu, C., Zon, R. L., Kozicka, Z., Park, P. M. C., Tsai, J. M., Yoon, H., Jones, L. H., Sperling, A. S., Gray, N. S., Fischer, E. S., and Ebert, B. L. (2025) Expanding the druggable zinc-finger proteome defines properties of drug-induced degradation. Mol Cell. 85, 3184-3201.e14
Fraser, B. J., Young, N. J., Bender, B. J., Gahbauer, S., Ilyassov, O., Wilson, R. P., Li, Y., Seitova, A., Lourenço, A. Luiz, Chung, D. Hee, Bardine, C., Bénard, F., Shoichet, B. K., Craik, C. S., and Arrowsmith, C. H. (2025) Large Library Docking and Biophysical Analysis of Small-Molecule TMPRSS2 Inhibitors. J Med Chem. 68, 19893-19907
Boeszoermenyi, A., Radeva, D. L., Schindler, S., Valadares, V., Das, K. M. Padmanab, Dubey, A., Viennet, T., Schmitt, M., Kast, P., Gelev, V. M., Stoyanov, N., Burdzhiev, N., Petrov, O., Ficarro, S., Marto, J., Geffken, E. A., Dhe-Paganon, S., Seo, H. - S., Alexander, N. D., Cooley, R. B., Mehl, R. A., Kovacs, H., Anklin, C., Bermel, W., Kuprov, I., Takeuchi, K., and Arthanari, H. (2025) Leveraging relaxation-optimized H-C correlations in 4-F-phenylalanine as atomic beacons for probing structure and dynamics of large proteins. Nat Chem. 17, 835-846
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
Miersch, S., Singer, A. U., Chen, C., Fellouse, F., Gopalsamy, A., Costa, L. Silva E., Lacasta, A., Chege, H., Chege, N., Nene, V., and Sidhu, S. S. (2025) Molecular characterization of a synthetic neutralizing antibody targeting p67 of Theileria parva. Protein Sci. 34, e70153
Terayama, K., Furuzono, S., Fer, N., Yan, W., Young, L. C., Czyzyk, D. J., de Salazar, R. Goldstein, Sasaki, M., Uozumi, A., Konishi, M., Kanda, S., Sogawa, Y., Yamaguchi, M., Tsuji, T., Kuroyanagi, J., Hayashi, M., Ogura, Y., Simanshu, D. K., Kubota, K., Tanaka, J., and McCormick, F. (2025) Molecular glues that facilitate RAS binding to PI3Kα promote glucose uptake without insulin.. Science. 389, 402-408

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