Publications

Found 83 results
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2021
Ippolito, J. A., Niu, H., Bertoletti, N., Carter, Z. J., Jin, S., Spasov, K. A., Cisneros, J. A., Valhondo, M., Cutrona, K. J., Anderson, K. S., and Jorgensen, W. L. (2021) Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead. ACS Med Chem Lett. 12, 249-255
Iketani, S., Forouhar, F., Liu, H., Hong, S. Jung, Lin, F. - Y., Nair, M. S., Zask, A., Huang, Y., Xing, L., Stockwell, B. R., Chavez, A., and Ho, D. D. (2021) Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors. Nat Commun. 12, 2016
Dawson, C. D., Irwin, S. M., Backman, L. R. F., Le, C., Wang, J. X., Vennelakanti, V., Yang, Z., Kulik, H. J., Drennan, C. L., and Balskus, E. P. (2021) Molecular basis of C-S bond cleavage in the glycyl radical enzyme isethionate sulfite-lyase. Cell Chem Biol. 10.1016/j.chembiol.2021.03.001
Yu, C. H., Bhattacharya, A., Persaud, M., Taylor, A. B., Wang, Z., Bulnes-Ramos, A., Xu, J., Selyutina, A., Martinez-Lopez, A., Cano, K., Demeler, B., Kim, B., Hardies, S. C., Diaz-Griffero, F., and Ivanov, D. N. (2021) Nucleic acid binding by SAMHD1 contributes to the antiretroviral activity and is enhanced by the GpsN modification. Nat Commun. 12, 731
Zhang, C. - H., Stone, E. A., Deshmukh, M., Ippolito, J. A., Ghahremanpour, M. M., Tirado-Rives, J., Spasov, K. A., Zhang, S., Takeo, Y., Kudalkar, S. N., Liang, Z., Isaacs, F., Lindenbach, B., Miller, S. J., Anderson, K. S., and Jorgensen, W. L. (2021) Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations. ACS Cent Sci. 7, 467-475
Zhang, C. - H., Stone, E. A., Deshmukh, M., Ippolito, J. A., Ghahremanpour, M. M., Tirado-Rives, J., Spasov, K. A., Zhang, S., Takeo, Y., Kudalkar, S. N., Liang, Z., Isaacs, F., Lindenbach, B., Miller, S. J., Anderson, K. S., and Jorgensen, W. L. (2021) Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations. ACS Cent Sci. 7, 467-475
Ginn, J., Jiang, X., Sun, S., Michino, M., Huggins, D. J., Mbambo, Z., Jansen, R., Rhee, K. Y., Arango, N., Lima, C. D., Liverton, N., Imaeda, T., Okamoto, R., Kuroita, T., Aso, K., Stamford, A., Foley, M., Meinke, P. T., Nathan, C., and Bryk, R. (2021) Whole Cell Active Inhibitors of Mycobacterial Lipoamide Dehydrogenase Afford Selectivity over the Human Enzyme through Tight Binding Interactions. ACS Infect Dis. 7, 435-444
2020
Zhong, M., Lynch, A., Muellers, S. N., Jehle, S., Luo, L., Hall, D. R., Iwase, R., Carolan, J. P., Egbert, M., Wakefield, A., Streu, K., Harvey, C. M., Ortet, P. C., Kozakov, D., Vajda, S., Allen, K. N., and Whitty, A. (2020) Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2). Biochemistry. 10.1021/acs.biochem.9b00943
Nordeen, S. A., Andersen, K. R., Knockenhauer, K. E., Ingram, J. R., Ploegh, H. L., and Schwartz, T. U. (2020) A nanobody suite for yeast scaffold nucleoporins provides details of the nuclear pore complex structure. Nat Commun. 11, 6179
Szewczyk, M. M., Ishikawa, Y., Organ, S., Sakai, N., Li, F., Halabelian, L., Ackloo, S., Couzens, A. L., Eram, M., Dilworth, D., Fukushi, H., Harding, R., Seña, C. C. Dela, Sugo, T., Hayashi, K., McLeod, D., Zepeda, C., Aman, A., Sánchez-Osuna, M., Bonneil, E., Takagi, S., Al-awar, R., Tyers, M., Richard, S., Takizawa, M., Gingras, A. - C., Arrowsmith, C. H., Vedadi, M., Brown, P. J., Nara, H., and Barsyte-Lovejoy, D. (2020) Pharmacological inhibition of PRMT7 links arginine monomethylation to the cellular stress response. Nat Commun. 11, 2396
A Saraswati, P., Relitti, N., Brindisi, M., Osko, J. D., Chemi, G., Federico, S., Grillo, A., Brogi, S., McCabe, N. H., Turkington, R. C., Ibrahim, O., O'Sullivan, J., Lamponi, S., Ghanim, M., Kelly, V. P., Zisterer, D., Amet, R., Barroeta, P. Hannon, Vanni, F., Ulivieri, C., Herp, D., Sarno, F., Di Costanzo, A., Saccoccia, F., Ruberti, G., Jung, M., Altucci, L., Gemma, S., Butini, S., Christianson, D. W., and Campiani, G. (2020) Spiroindoline-Capped Selective HDAC6 Inhibitors: Design, Synthesis, Structural Analysis, and Biological Evaluation. ACS Med Chem Lett. 11, 2268-2276
Chitrakar, I., Iuliano, J. N., He, Y. L., Woroniecka, H. A., Collado, J. Tolentino, Wint, J. M., Walker, S. G., Tonge, P. J., and French, J. B. (2020) Structural Basis for the Regulation of Biofilm Formation and Iron Uptake in by the Blue-Light-Using Photoreceptor, BlsA. ACS Infect Dis. 6, 2592-2603
Duong, V. N., Ippolito, J. A., Chan, A. H., Lee, W. - G., Spasov, K. A., Jorgensen, W. L., and Anderson, K. S. (2020) Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site. Protein Sci. 10.1002/pro.3910
Indurthi, V. S. K., Jensen, J. L., Leclerc, E., Sinha, S., Colbert, C. L., and Vetter, S. W. (2020) The Trp triad within the V-domain of the receptor for advanced glycation end products modulates folding, stability and ligand binding. Biosci Rep. 10.1042/BSR20193360
2019
Mashalidis, E. H., Kaeser, B., Terasawa, Y., Katsuyama, A., Kwon, D. - Y., Lee, K., Hong, J., Ichikawa, S., and Lee, S. - Y. (2019) Chemical logic of MraY inhibition by antibacterial nucleoside natural products. Nat Commun. 10, 2917
Cai, X. - C., Zhang, T., Kim, E. - J., Jiang, M., Wang, K., Wang, J., Chen, S., Zhang, N., Wu, H., Li, F., Seña, C. C. Dela, Zeng, H., Vivcharuk, V., Niu, X., Zheng, W., Lee, J. P., Chen, Y., Barsyte, D., Szewczyk, M., Hajian, T., Ibáñez, G., Dong, A., Dombrovski, L., Zhang, Z., Deng, H., Min, J., Arrowsmith, C. H., Mazutis, L., Shi, L., Vedadi, M., Brown, P. J., Xiang, J., Qin, L. - X., Xu, W., and Luo, M. (2019) A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion. Elife. 10.7554/eLife.47110
Geldenhuys, W. J., Long, T. E., Saralkar, P., Iwasaki, T., Nuñez, R. A. A., Nair, R. R., Konkle, M. E., Menze, M. A., Pinti, M. V., Hollander, J. M., Hazlehurst, L. A., and Robart, A. R. (2019) Crystal structure of the mitochondrial protein mitoNEET bound to a benze-sulfonide ligand. Communications Chemistry. 2, 77
Everett, B. A., Litzau, L. A., Tompkins, K., Shi, K., Nelson, A., Aihara, H., Iii, R. L. Evans, and Gordon, W. R. (2019) Crystal structure of the Wheat dwarf virus Rep domain. Acta Crystallogr F Struct Biol Commun. 75, 744-749
Lama, L., Adura, C., Xie, W., Tomita, D., Kamei, T., Kuryavyi, V., Gogakos, T., Steinberg, J. I., Miller, M., Ramos-Espiritu, L., Asano, Y., Hashizume, S., Aida, J., Imaeda, T., Okamoto, R., Jennings, A. J., Michino, M., Kuroita, T., Stamford, A., Gao, P., Meinke, P., J Glickman, F., Patel, D. J., and Tuschl, T. (2019) Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression. Nat Commun. 10, 2261
Allali-Hassani, A., Szewczyk, M. M., Ivanochko, D., Organ, S. L., Bok, J., Ho, J. Sook Yuin, Gay, F. P. H., Li, F., Blazer, L., Eram, M. S., Halabelian, L., Dilworth, D., Luciani, G. M., Lima-Fernandes, E., Wu, Q., Loppnau, P., Palmer, N., S Talib, Z. A., Brown, P. J., Schapira, M., Kaldis, P., O'Hagan, R. C., Guccione, E., Barsyte-Lovejoy, D., Arrowsmith, C. H., Sanders, J. M., Kattar, S. D., D Bennett, J., Nicholson, B., and Vedadi, M. (2019) Discovery of a chemical probe for PRDM9. Nat Commun. 10, 5759
Ceccarelli, D. F., Ivantsiv, S., Mullin, A. Anne, Coyaud, E., Manczyk, N., Maisonneuve, P., Kurinov, I., Zhao, L., Go, C., Gingras, A. - C., Raught, B., Cordes, S., and Sicheri, F. (2019) FAM105A/OTULINL Is a Pseudodebuiquitinase of the OTU-Class that Localizes to the ER Membrane. Structure. 10.1016/j.str.2019.03.022
de Araujo, E. D., Erdogan, F., Neubauer, H. A., Meneksedag-Erol, D., Manaswiyoungkul, P., Eram, M. S., Seo, H. - S., Qadree, A. K., Israelian, J., Orlova, A., Suske, T., Pham, H. T. T., Boersma, A., Tangermann, S., Kenner, L., Rülicke, T., Dong, A., Ravichandran, M., Brown, P. J., Audette, G. F., Rauscher, S., Dhe-Paganon, S., Moriggl, R., and Gunning, P. T. (2019) Structural and functional consequences of the STAT5B driver mutation. Nat Commun. 10, 2517

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