Publications

Found 815 results
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2023
Limón, L. K., Shi, K., Dao, A., Rugloski, J., Tompkins, K. J., Aihara, H., Gordon, W. R., and Evans, R. L. (2023) The crystal structure of the human smacovirus 1 Rep domain. Acta Crystallogr F Struct Biol Commun. 79, 295-300
Rettie, S. A., Campbell, K. V., Bera, A. K., Kang, A., Kozlov, S., De La Cruz, J., Adebomi, V., Zhou, G., DiMaio, F., Ovchinnikov, S., and Bhardwaj, G. (2023) Cyclic peptide structure prediction and design using AlphaFold. bioRxiv. 10.1101/2023.02.25.529956
Papadaki, G. F., Ani, O., Florio, T. J., Young, M. C., Danon, J. N., Sun, Y., Dersh, D., and Sgourakis, N. G. (2023) Decoupling peptide binding from T cell receptor recognition with engineered chimeric MHC-I molecules. Front Immunol. 14, 1116906
Carter, Z. J., Hollander, K., Spasov, K. A., Anderson, K. S., and Jorgensen, W. L. (2023) Design, synthesis, and biological testing of biphenylmethyloxazole inhibitors targeting HIV-1 reverse transcriptase. Bioorg Med Chem Lett. 84, 129216
de Miranda, R., Cuthbert, B. J., Klevorn, T., Chao, A., Mendoza, J., Arbing, M., Sieminski, P. J., Papavinasasundaram, K., Abdul-Hafiz, S., Chan, S., Sassetti, C. M., Ehrt, S., and Goulding, C. W. (2023) Differentiating the roles of Mycobacterium tuberculosis substrate binding proteins, FecB and FecB2, in iron uptake. PLoS Pathog. 19, e1011650
de Miranda, R., Cuthbert, B. J., Klevorn, T., Chao, A., Mendoza, J., Arbing, M., Sieminski, P. J., Papavinasasundaram, K., Abdul-Hafiz, S., Chan, S., Sassetti, C. M., Ehrt, S., and Goulding, C. W. (2023) Differentiating the roles of Mycobacterium tuberculosis substrate binding proteins, FecB and FecB2, in iron uptake. PLoS Pathog. 19, e1011650
Harding, R. J., Franzoni, I., Mann, M. K., Szewczyk, M. M., Mirabi, B., de Freitas, R. Ferreira, Owens, D. D. G., Ackloo, S., Scheremetjew, A., Juarez-Ornelas, K. A., Sanichar, R., Baker, R. J., Dank, C., Brown, P. J., Barsyte-Lovejoy, D., Santhakumar, V., Schapira, M., Lautens, M., and Arrowsmith, C. H. (2023) Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6. J Med Chem. 66, 10273-10288
Harding, R. J., Franzoni, I., Mann, M. K., Szewczyk, M. M., Mirabi, B., de Freitas, R. Ferreira, Owens, D. D. G., Ackloo, S., Scheremetjew, A., Juarez-Ornelas, K. A., Sanichar, R., Baker, R. J., Dank, C., Brown, P. J., Barsyte-Lovejoy, D., Santhakumar, V., Schapira, M., Lautens, M., and Arrowsmith, C. H. (2023) Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6. J Med Chem. 66, 10273-10288
Ahmad, S., Xu, J., Feng, J. A., Hutchinson, A., Zeng, H., Ghiabi, P., Dong, A., Centrella, P. A., Clark, M. A., Guié, M. - A., Guilinger, J. P., Keefe, A. D., Zhang, Y., Cerruti, T., Cuozzo, J. W., von Rechenberg, M., Bolotokova, A., Li, Y., Loppnau, P., Seitova, A., Li, Y. - Y., Santhakumar, V., Brown, P. J., Ackloo, S., and Halabelian, L. (2023) Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J Med Chem. 66, 16051-16061
Ahmad, S., Xu, J., Feng, J. A., Hutchinson, A., Zeng, H., Ghiabi, P., Dong, A., Centrella, P. A., Clark, M. A., Guié, M. - A., Guilinger, J. P., Keefe, A. D., Zhang, Y., Cerruti, T., Cuozzo, J. W., von Rechenberg, M., Bolotokova, A., Li, Y., Loppnau, P., Seitova, A., Li, Y. - Y., Santhakumar, V., Brown, P. J., Ackloo, S., and Halabelian, L. (2023) Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J Med Chem. 66, 16051-16061
Kimani, S. W., Owen, J., Green, S. R., Li, F., Li, Y., Dong, A., Brown, P. J., Ackloo, S., Kuter, D., Yang, C., MacAskill, M., MacKinnon, S. Scott, Arrowsmith, C. H., Schapira, M., Shahani, V., and Halabelian, L. (2023) Discovery of a Novel DCAF1 Ligand Using a Drug-Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets. J Chem Inf Model. 63, 4070-4078
Kimani, S. W., Owen, J., Green, S. R., Li, F., Li, Y., Dong, A., Brown, P. J., Ackloo, S., Kuter, D., Yang, C., MacAskill, M., MacKinnon, S. Scott, Arrowsmith, C. H., Schapira, M., Shahani, V., and Halabelian, L. (2023) Discovery of a Novel DCAF1 Ligand Using a Drug-Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets. J Chem Inf Model. 63, 4070-4078
Li, A. Shi Ming, Kimani, S., Wilson, B., Noureldin, M., González-Álvarez, H., Mamai, A., Hoffer, L., Guilinger, J. P., Zhang, Y., von Rechenberg, M., Disch, J. S., Mulhern, C. J., Slakman, B. L., Cuozzo, J. W., Dong, A., Poda, G., Mohammed, M., Saraon, P., Mittal, M., Modh, P., Rathod, V., Patel, B., Ackloo, S., Santhakumar, V., Szewczyk, M. M., Barsyte-Lovejoy, D., Arrowsmith, C. H., Marcellus, R., Guié, M. - A., Keefe, A. D., Brown, P. J., Halabelian, L., Al-awar, R., and Vedadi, M. (2023) Discovery of Nanomolar DCAF1 Small Molecule Ligands. J Med Chem. 66, 5041-5060
Li, A. Shi Ming, Kimani, S., Wilson, B., Noureldin, M., González-Álvarez, H., Mamai, A., Hoffer, L., Guilinger, J. P., Zhang, Y., von Rechenberg, M., Disch, J. S., Mulhern, C. J., Slakman, B. L., Cuozzo, J. W., Dong, A., Poda, G., Mohammed, M., Saraon, P., Mittal, M., Modh, P., Rathod, V., Patel, B., Ackloo, S., Santhakumar, V., Szewczyk, M. M., Barsyte-Lovejoy, D., Arrowsmith, C. H., Marcellus, R., Guié, M. - A., Keefe, A. D., Brown, P. J., Halabelian, L., Al-awar, R., and Vedadi, M. (2023) Discovery of Nanomolar DCAF1 Small Molecule Ligands. J Med Chem. 66, 5041-5060
Li, A. Shi Ming, Kimani, S., Wilson, B., Noureldin, M., González-Álvarez, H., Mamai, A., Hoffer, L., Guilinger, J. P., Zhang, Y., von Rechenberg, M., Disch, J. S., Mulhern, C. J., Slakman, B. L., Cuozzo, J. W., Dong, A., Poda, G., Mohammed, M., Saraon, P., Mittal, M., Modh, P., Rathod, V., Patel, B., Ackloo, S., Santhakumar, V., Szewczyk, M. M., Barsyte-Lovejoy, D., Arrowsmith, C. H., Marcellus, R., Guié, M. - A., Keefe, A. D., Brown, P. J., Halabelian, L., Al-awar, R., and Vedadi, M. (2023) Discovery of Nanomolar DCAF1 Small Molecule Ligands. J Med Chem. 66, 5041-5060
Plau, J., Morgan, C. E., Fedorov, Y., Banerjee, S., Adams, D. J., Blaner, W. S., Yu, E. W., and Golczak, M. (2023) Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms. ACS Chem Biol. 18, 2309-2323
Kim, C. Y., Mitchell, A. J., Kastner, D. W., Albright, C. E., Gutierrez, M. A., Glinkerman, C. M., Kulik, H. J., and Weng, J. - K. (2023) Emergence of a proton exchange-based isomerization and lactonization mechanism in the plant coumarin synthase COSY. Nat Commun. 14, 597
Bruce, H. A., Singer, A. U., Filippova, E. V., Blazer, L. L., Adams, J. J., Enderle, L., Ben-David, M., Radley, E. H., Mao, D. Y. L., Pau, V., Orlicky, S., Sicheri, F., Kourinov, I., Atwell, S., Kossiakoff, A. A., and Sidhu, S. S. (2023) Engineered Antigen-Binding Fragments for Enhanced Crystallization of Antibody:Antigen Complexes. Protein Sci. 10.1002/pro.4824
Bruce, H. A., Singer, A. U., Filippova, E. V., Blazer, L. L., Adams, J. J., Enderle, L., Ben-David, M., Radley, E. H., Mao, D. Y. L., Pau, V., Orlicky, S., Sicheri, F., Kourinov, I., Atwell, S., Kossiakoff, A. A., and Sidhu, S. S. (2023) Engineered Antigen-Binding Fragments for Enhanced Crystallization of Antibody:Antigen Complexes. Protein Sci. 10.1002/pro.4824
Hollander, K., Chan, A. H., Frey, K. M., Hunker, O., Ippolito, J. A., Spasov, K. A., Yeh, Y. - H. J., Jorgensen, W. L., Ho, Y. - C., and Anderson, K. S. (2023) Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise. Protein Sci. 32, e4814
Anmangandla, A., Jana, S., Peng, K., Wallace, S. D., Bagde, S. R., Drown, B. S., Xu, J., Hergenrother, P. J., J Fromme, C., and Lin, H. (2023) A Fluorescence Polarization Assay for Macrodomains Facilitates the Identification of Potent Inhibitors of the SARS-CoV-2 Macrodomain. ACS Chem Biol. 18, 1200-1207
Mehta, R. S., Mayers, J. R., Zhang, Y., Bhosle, A., Glasser, N. R., Nguyen, L. H., Ma, W., Bae, S., Branck, T., Song, K., Sebastian, L., Pacheco, J. Avila, Seo, H. - S., Clish, C., Dhe-Paganon, S., Ananthakrishnan, A. N., Franzosa, E. A., Balskus, E. P., Chan, A. T., and Huttenhower, C. (2023) Gut microbial metabolism of 5-ASA diminishes its clinical efficacy in inflammatory bowel disease. Nat Med. 29, 700-709
An, L., Hicks, D. R., Zorine, D., Dauparas, J., Wicky, B. I. M., Milles, L. F., Courbet, A., Bera, A. K., Nguyen, H., Kang, A., Carter, L., and Baker, D. (2023) Hallucination of closed repeat proteins containing central pockets. Nat Struct Mol Biol. 30, 1755-1760
Talledge, N., Yang, H., Shi, K., Coray, R., Yu, G., Arndt, W. G., Meng, S., Baxter, G. C., Mendonça, L. M., Castaño-Díez, D., Aihara, H., Mansky, L. M., and Zhang, W. (2023) HIV-2 Immature Particle Morphology Provides Insights into Gag Lattice Stability and Virus Maturation. J Mol Biol. 10.1016/j.jmb.2023.168143
Talledge, N., Yang, H., Shi, K., Coray, R., Yu, G., Arndt, W. G., Meng, S., Baxter, G. C., Mendonça, L. M., Castaño-Díez, D., Aihara, H., Mansky, L. M., and Zhang, W. (2023) HIV-2 Immature Particle Morphology Provides Insights into Gag Lattice Stability and Virus Maturation. J Mol Biol. 10.1016/j.jmb.2023.168143

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