Publications

Found 652 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
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
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
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
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
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
Simmons, H. C., Finney, J., Kotaki, R., Adachi, Y., Moseman, A. Park, Watanabe, A., Song, S., Robinson-McCarthy, L. R., Le Sage, V., Kuraoka, M., E Moseman, A., Kelsoe, G., Takahashi, Y., and McCarthy, K. R. (2025) A protective and broadly binding antibody class engages the influenza virus hemagglutinin head at its stem interface. mBio. 16, e0089225
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
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
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
Liu, B. Hui, Liu, M., Radhakrishnan, S., Dai, M. - Y., Jaladanki, C. Kumar, Gao, C., Tang, J. Ping, Kumari, K., Go, M. Lin, Vu, K. Anh L., Kwon, J., Seo, H. - S., Song, K., Tian, X., Feng, L., Tan, J. L., Melkonian, A. V., Liu, Z., Wulf, G., Arthanari, H., Qi, J., Dhe-Paganon, S., Clohessy, J. G., Choong, Y. Khai, Sivaraman, J., Fan, H., Tenen, D. G., and Chai, L. (2025) Targeting transcription factors through an IMiD independent zinc finger domain. EMBO Mol Med. 17, 1393-1416
Liu, B. Hui, Liu, M., Radhakrishnan, S., Dai, M. - Y., Jaladanki, C. Kumar, Gao, C., Tang, J. Ping, Kumari, K., Go, M. Lin, Vu, K. Anh L., Kwon, J., Seo, H. - S., Song, K., Tian, X., Feng, L., Tan, J. L., Melkonian, A. V., Liu, Z., Wulf, G., Arthanari, H., Qi, J., Dhe-Paganon, S., Clohessy, J. G., Choong, Y. Khai, Sivaraman, J., Fan, H., Tenen, D. G., and Chai, L. (2025) Targeting transcription factors through an IMiD independent zinc finger domain. EMBO Mol Med. 17, 1393-1416
2024
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

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