Publications

Found 669 results
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2025
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
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
Dharmaiah, S., Bonsor, D. A., Mo, S. P., Fernandez-Cabrera, A., Chan, A. H., Messing, S., Drew, M., Vega, M., Nissley, D. V., Esposito, D., Castel, P., and Simanshu, D. K. (2025) Structural basis for LZTR1 recognition of RAS GTPases for degradation. Science. 389, 1112-1117
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
An, L., Said, M., Tran, L., Majumder, S., Goreshnik, I., Lee, G. Rie, Juergens, D., Dauparas, J., Anishchenko, I., Coventry, B., Bera, A. K., Kang, A., Levine, P. M., Alvarez, V., Pillai, A., Norn, C., Feldman, D., Zorine, D., Hicks, D. R., Li, X., Sanchez, M. Garcia, Vafeados, D. K., Salveson, P. J., Vorobieva, A. A., and Baker, D. (2024) Binding and sensing diverse small molecules using shape-complementary pseudocycles. Science. 385, 276-282
Maisonneuve, P., Sahmi, M., Bergeron-Labrecque, F., Ma, X. Iris, Queguiner, J., Arseneault, G., Lefrançois, M., Kurinov, I., Fronzes, R., Sicheri, F., and Therrien, M. (2024) The CNK-HYP scaffolding complex promotes RAF activation by enhancing KSR-MEK interaction. Nat Struct Mol Biol. 10.1038/s41594-024-01233-6
Adams, M. C., Schiltz, C. J., Sun, J., Hosford, C. J., Johnson, V. M., Pan, H., Borbat, P. P., Freed, J. H., Thomason, L. C., Court, C., Court, D. L., and Chappie, J. S. (2024) The crystal structure of bacteriophage λ RexA provides novel insights into the DNA binding properties of Rex-like phage exclusion proteins.. Nucleic Acids Res. 52, 4659-4675
Forker, K., Fleming, M. C., Pearce, K. H., Vaziri, C., Bowers, A. A., and Zhou, P. (2024) Crystal structure of MAGEA4 MHD-RAD18 R6BD reveals a flipped binding mode compared to AlphaFold2 prediction. EMBO J. 10.1038/s44318-024-00140-2
Forker, K., Fleming, M. C., Pearce, K. H., Vaziri, C., Bowers, A. A., and Zhou, P. (2024) Crystal structure of MAGEA4 MHD-RAD18 R6BD reveals a flipped binding mode compared to AlphaFold2 prediction. EMBO J. 10.1038/s44318-024-00140-2
Li, Y., Wei, Y., Ultsch, M., Li, W., Tang, W., Tombling, B., Gao, X., Dimitrova, Y., Gampe, C., Fuhrmann, J., Zhang, Y., Hannoush, R. N., and Kirchhofer, D. (2024) Cystine-knot peptide inhibitors of HTRA1 bind to a cryptic pocket within the active site region. Nat Commun. 15, 4359
Wright, N. J., Matsuoka, Y., Park, H., He, W., Webster, C. G., Furutani, K., Fedor, J. G., McGinnis, A., Zhao, Y., Chen, O., Bang, S., Fan, P., Spasojevic, I., Hong, J., Ji, R. - R., and Lee, S. - Y. (2024) Design of an equilibrative nucleoside transporter subtype 1 inhibitor for pain relief. Nat Commun. 15, 10738
Wright, N. J., Matsuoka, Y., Park, H., He, W., Webster, C. G., Furutani, K., Fedor, J. G., McGinnis, A., Zhao, Y., Chen, O., Bang, S., Fan, P., Spasojevic, I., Hong, J., Ji, R. - R., and Lee, S. - Y. (2024) Design of an equilibrative nucleoside transporter subtype 1 inhibitor for pain relief. Nat Commun. 15, 10738
Wright, N. J., Matsuoka, Y., Park, H., He, W., Webster, C. G., Furutani, K., Fedor, J. G., McGinnis, A., Zhao, Y., Chen, O., Bang, S., Fan, P., Spasojevic, I., Hong, J., Ji, R. - R., and Lee, S. - Y. (2024) Design of an equilibrative nucleoside transporter subtype 1 inhibitor for pain relief. Nat Commun. 15, 10738

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