Publications

Found 1620 results
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2023
Prucha, G. R., Henry, S., Hollander, K., Carter, Z. J., Spasov, K. A., Jorgensen, W. L., and Anderson, K. S. (2023) Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase. Eur J Med Chem. 262, 115894
Chen, E. V., Nicoludis, J. M., Powell, B. M., Li, K. S., and Yatsunyk, L. A. (2023) Crystal structure of a three-tetrad, parallel, K-stabilized human telomeric G-quadruplex at 1.35 Å resolution.. Acta Crystallogr F Struct Biol Commun. 79, 144-150
Gong, Z., Wang, W., Omari, K. El, Lebedev, A. A., Clarke, O. B., and Hendrickson, W. A. (2023) Crystal structure of LGR ligand α2/β5 from with implications for the evolution of glycoprotein hormones.. Proc Natl Acad Sci U S A. 120, e2218630120
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
Bollmeyer, M. M., Coleman, R. E., Majer, S. H., Ferrao, S. D., and Lancaster, K. M. (2023) Cytochrome P460 Cofactor Maturation Proceeds via Peroxide-Dependent Post-translational Modification. J Am Chem Soc. 145, 14404-14416
Kim, D. E., Jensen, D. R., Feldman, D., Tischer, D., Saleem, A., Chow, C. M., Li, X., Carter, L., Milles, L., Nguyen, H., Kang, A., Bera, A. K., Peterson, F. C., Volkman, B. F., Ovchinnikov, S., and Baker, D. (2023) De novo design of small beta barrel proteins. Proc Natl Acad Sci U S A. 120, e2207974120
Kim, D. E., Jensen, D. R., Feldman, D., Tischer, D., Saleem, A., Chow, C. M., Li, X., Carter, L., Milles, L., Nguyen, H., Kang, A., Bera, A. K., Peterson, F. C., Volkman, B. F., Ovchinnikov, S., and Baker, D. (2023) De novo design of small beta barrel proteins. Proc Natl Acad Sci U S A. 120, e2207974120
Darabedian, N., Ji, W., Fan, M., Lin, S., Seo, H. - S., Vinogradova, E. V., Yaron, T. M., Mills, E. L., Xiao, H., Senkane, K., Huntsman, E. M., Johnson, J. L., Che, J., Cantley, L. C., Cravatt, B. F., Dhe-Paganon, S., Stegmaier, K., Zhang, T., Gray, N. S., and Chouchani, E. T. (2023) Depletion of creatine phosphagen energetics with a covalent creatine kinase inhibitor. Nat Chem Biol. 10.1038/s41589-023-01273-x
Darabedian, N., Ji, W., Fan, M., Lin, S., Seo, H. - S., Vinogradova, E. V., Yaron, T. M., Mills, E. L., Xiao, H., Senkane, K., Huntsman, E. M., Johnson, J. L., Che, J., Cantley, L. C., Cravatt, B. F., Dhe-Paganon, S., Stegmaier, K., Zhang, T., Gray, N. S., and Chouchani, E. T. (2023) Depletion of creatine phosphagen energetics with a covalent creatine kinase inhibitor. Nat Chem Biol. 10.1038/s41589-023-01273-x
Darabedian, N., Ji, W., Fan, M., Lin, S., Seo, H. - S., Vinogradova, E. V., Yaron, T. M., Mills, E. L., Xiao, H., Senkane, K., Huntsman, E. M., Johnson, J. L., Che, J., Cantley, L. C., Cravatt, B. F., Dhe-Paganon, S., Stegmaier, K., Zhang, T., Gray, N. S., and Chouchani, E. T. (2023) Depletion of creatine phosphagen energetics with a covalent creatine kinase inhibitor. Nat Chem Biol. 10.1038/s41589-023-01273-x
Darabedian, N., Ji, W., Fan, M., Lin, S., Seo, H. - S., Vinogradova, E. V., Yaron, T. M., Mills, E. L., Xiao, H., Senkane, K., Huntsman, E. M., Johnson, J. L., Che, J., Cantley, L. C., Cravatt, B. F., Dhe-Paganon, S., Stegmaier, K., Zhang, T., Gray, N. S., and Chouchani, E. T. (2023) Depletion of creatine phosphagen energetics with a covalent creatine kinase inhibitor. Nat Chem Biol. 10.1038/s41589-023-01273-x
Gerben, S. R., Borst, A. J., Hicks, D. R., Moczygemba, I., Feldman, D., Coventry, B., Yang, W., Bera, A. K., Miranda, M., Kang, A., Nguyen, H., and Baker, D. (2023) Design of Diverse Asymmetric Pockets in Homo-oligomeric Proteins. Biochemistry. 62, 358-368
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
Mahoney, B. J., Goring, A. K., Wang, Y., Dasika, P., Zhou, A., Grossbard, E., Cascio, D., Loo, J. A., and Clubb, R. T. (2023) Development and atomic structure of a new fluorescence-based sensor to probe heme transfer in bacterial pathogens. J Inorg Biochem. 249, 112368
Mahoney, B. J., Goring, A. K., Wang, Y., Dasika, P., Zhou, A., Grossbard, E., Cascio, D., Loo, J. A., and Clubb, R. T. (2023) Development and atomic structure of a new fluorescence-based sensor to probe heme transfer in bacterial pathogens. J Inorg Biochem. 249, 112368
Sinatra, L., Vogelmann, A., Friedrich, F., Tararina, M. A., Neuwirt, E., Colcerasa, A., König, P., Toy, L., Yesiloglu, T. Z., Hilscher, S., Gaitzsch, L., Papenkordt, N., Zhai, S., Zhang, L., Romier, C., Einsle, O., Sippl, W., Schutkowski, M., Gross, O., Bendas, G., Christianson, D. W., Hansen, F. K., Jung, M., and Schiedel, M. (2023) Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation. J Med Chem. 66, 14787-14814
Sinatra, L., Vogelmann, A., Friedrich, F., Tararina, M. A., Neuwirt, E., Colcerasa, A., König, P., Toy, L., Yesiloglu, T. Z., Hilscher, S., Gaitzsch, L., Papenkordt, N., Zhai, S., Zhang, L., Romier, C., Einsle, O., Sippl, W., Schutkowski, M., Gross, O., Bendas, G., Christianson, D. W., Hansen, F. K., Jung, M., and Schiedel, M. (2023) Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation. J Med Chem. 66, 14787-14814
Kwak, S. - H., C Cochrane, S., Cho, J., Dome, P. A., Ennis, A. F., Kim, J. Hyun, Zhou, P., and Hong, J. (2023) Development of LpxH inhibitors chelating the active site di-manganese metal cluster of LpxH. ChemMedChem. 10.1002/cmdc.202300023
Kwak, S. - H., C Cochrane, S., Cho, J., Dome, P. A., Ennis, A. F., Kim, J. Hyun, Zhou, P., and Hong, J. (2023) Development of LpxH inhibitors chelating the active site di-manganese metal cluster of LpxH. ChemMedChem. 10.1002/cmdc.202300023
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
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
Davila-Hernandez, F. A., Jin, B., Pyles, H., Zhang, S., Wang, Z., Huddy, T. F., Bera, A. K., Kang, A., Chen, C. - L., De Yoreo, J. J., and Baker, D. (2023) Directing polymorph specific calcium carbonate formation with de novo protein templates. Nat Commun. 14, 8191
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

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