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2024

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

Ennis, A. F., C Cochrane, S., Dome, P. A., Jeong, P., Yu, J., Lee, H., Williams, C. S., Ha, Y., Yang, W., Zhou, P., and Hong, J. (2024) Design and Evaluation of Pyridinyl Sulfonyl Piperazine LpxH Inhibitors with Potent Antibiotic Activity Against Enterobacterales. JACS Au. 4, 4383-4393

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

Phelps, G. A., Cheramie, M. N., Fernando, D. M., Selchow, P., Meyer, C. J., Waidyarachchi, S. L., Dharuman, S., Liu, J., Meuli, M., Dal Molin, M., Killam, B. Y., Murphy, P. A., Reeve, S. M., Wilt, L. A., Anderson, S. M., Yang, L., Lee, R. B., Temrikar, Z. H., Lukka, P. B., Meibohm, B., Polikanov, Y. S., Hobbie, S. N., Böttger, E. C., Sander, P., and Lee, R. E. (2024) Development of 2nd generation aminomethyl spectinomycins that overcome native efflux in abscessus. Proc Natl Acad Sci U S A. 121, e2314101120

Phelps, G. A., Cheramie, M. N., Fernando, D. M., Selchow, P., Meyer, C. J., Waidyarachchi, S. L., Dharuman, S., Liu, J., Meuli, M., Dal Molin, M., Killam, B. Y., Murphy, P. A., Reeve, S. M., Wilt, L. A., Anderson, S. M., Yang, L., Lee, R. B., Temrikar, Z. H., Lukka, P. B., Meibohm, B., Polikanov, Y. S., Hobbie, S. N., Böttger, E. C., Sander, P., and Lee, R. E. (2024) Development of 2nd generation aminomethyl spectinomycins that overcome native efflux in abscessus. Proc Natl Acad Sci U S A. 121, e2314101120

Palani, S., Machida, Y., Alvey, J. R., Mishra, V., Welter, A. L., Cui, G., Bragantini, B., Botuyan, M. Victoria, Cong, A. T. Q., Mer, G., Schellenberg, M. J., and Machida, Y. J. (2024) Dimerization-dependent serine protease activity of FAM111A prevents replication fork stalling at topoisomerase 1 cleavage complexes. Nat Commun. 15, 2064

Tassoulas, L. J., Rankin, J. A., Elias, M. H., and Wackett, L. P. (2024) Dinickel enzyme evolved to metabolize the pharmaceutical metformin and its implications for wastewater and human microbiomes. Proc Natl Acad Sci U S A. 121, e2312652121

Loll, P. J., Grasty, K. C., Shultis, D. D., Guzman, N. J., and Wiener, M. C. (2024) Discovery and structural characterization of the D-box, a conserved TonB motif that couples an inner-membrane motor to outer-membrane transport. J Biol Chem. 300, 105723

Maciag, A. E., Stice, J. P., Wang, B., Sharma, A. K., Chan, A. H., Lin, K., Singh, D., Dyba, M., Yang, Y., Setoodeh, S., Smith, B. P., Ju, J. Hyun, Jeknic, S., Rabara, D., Zhang, Z., Larsen, E. K., Esposito, D., Denson, J. - P., Ranieri, M., Meynardie, M., Mehdizadeh, S., Alexander, P. A., Blanco, M. Abreu, Turner, D. M., Xu, R., Lightstone, F. C., Wong, K. - K., Stephen, A. G., Wang, K., Simanshu, D. K., Sinkevicius, K. W., Nissley, D. V., Wallace, E., McCormick, F., and Beltran, P. J. (2024) Discovery of BBO-8520, a first-in-class direct and covalent dual inhibitor of GTP-bound (ON) and GDP-bound (OFF) KRASG12C. Cancer Discov. 10.1158/2159-8290.CD-24-0840

Maciag, A. E., Stice, J. P., Wang, B., Sharma, A. K., Chan, A. H., Lin, K., Singh, D., Dyba, M., Yang, Y., Setoodeh, S., Smith, B. P., Ju, J. Hyun, Jeknic, S., Rabara, D., Zhang, Z., Larsen, E. K., Esposito, D., Denson, J. - P., Ranieri, M., Meynardie, M., Mehdizadeh, S., Alexander, P. A., Blanco, M. Abreu, Turner, D. M., Xu, R., Lightstone, F. C., Wong, K. - K., Stephen, A. G., Wang, K., Simanshu, D. K., Sinkevicius, K. W., Nissley, D. V., Wallace, E., McCormick, F., and Beltran, P. J. (2024) Discovery of BBO-8520, a first-in-class direct and covalent dual inhibitor of GTP-bound (ON) and GDP-bound (OFF) KRASG12C. Cancer Discov. 10.1158/2159-8290.CD-24-0840

Maciag, A. E., Stice, J. P., Wang, B., Sharma, A. K., Chan, A. H., Lin, K., Singh, D., Dyba, M., Yang, Y., Setoodeh, S., Smith, B. P., Ju, J. Hyun, Jeknic, S., Rabara, D., Zhang, Z., Larsen, E. K., Esposito, D., Denson, J. - P., Ranieri, M., Meynardie, M., Mehdizadeh, S., Alexander, P. A., Blanco, M. Abreu, Turner, D. M., Xu, R., Lightstone, F. C., Wong, K. - K., Stephen, A. G., Wang, K., Simanshu, D. K., Sinkevicius, K. W., Nissley, D. V., Wallace, E., McCormick, F., and Beltran, P. J. (2024) Discovery of BBO-8520, a first-in-class direct and covalent dual inhibitor of GTP-bound (ON) and GDP-bound (OFF) KRASG12C. Cancer Discov. 10.1158/2159-8290.CD-24-0840

Maciag, A. E., Stice, J. P., Wang, B., Sharma, A. K., Chan, A. H., Lin, K., Singh, D., Dyba, M., Yang, Y., Setoodeh, S., Smith, B. P., Ju, J. Hyun, Jeknic, S., Rabara, D., Zhang, Z., Larsen, E. K., Esposito, D., Denson, J. - P., Ranieri, M., Meynardie, M., Mehdizadeh, S., Alexander, P. A., Blanco, M. Abreu, Turner, D. M., Xu, R., Lightstone, F. C., Wong, K. - K., Stephen, A. G., Wang, K., Simanshu, D. K., Sinkevicius, K. W., Nissley, D. V., Wallace, E., McCormick, F., and Beltran, P. J. (2024) Discovery of BBO-8520, a first-in-class direct and covalent dual inhibitor of GTP-bound (ON) and GDP-bound (OFF) KRASG12C. Cancer Discov. 10.1158/2159-8290.CD-24-0840

Smith, C. R., Chen, D., Christensen, J. G., Coulombe, R., Féthière, J., Gunn, R. J., Hollander, J., Jones, B., Ketcham, J. M., Khare, S., Kuehler, J., J Lawson, D., Marx, M. A., Olson, P., Pearson, K. E., Ren, C., Tsagris, D., Ulaganathan, T., Veer, I. Van't, Wang, X., and Ivetac, A. (2024) Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography. J Med Chem. 67, 774-781

Kofoed, E. M., Aliagas, I., Crawford, T., Mao, J., Harris, S. F., Xu, M., Wang, S., Wu, P., Ma, F., Clark, K., Sims, J., Xu, Y., Peng, Y., Skippington, E., Yang, Y., Reeder, J., Ubhayakar, S., Baumgardner, M., Yan, Z., Chen, J., Park, S., Zhang, H., Yen, C. - W., Lorenzo, M., Skelton, N., Liang, X., Chen, L., Hoag, B., Li, C. Sing, Liu, Z., Wai, J., Liu, X., Liang, J., and Tan, M. Wah (2024) Discovery of GuaB inhibitors with efficacy against infection. mBio. 15, e0089724

Kofoed, E. M., Aliagas, I., Crawford, T., Mao, J., Harris, S. F., Xu, M., Wang, S., Wu, P., Ma, F., Clark, K., Sims, J., Xu, Y., Peng, Y., Skippington, E., Yang, Y., Reeder, J., Ubhayakar, S., Baumgardner, M., Yan, Z., Chen, J., Park, S., Zhang, H., Yen, C. - W., Lorenzo, M., Skelton, N., Liang, X., Chen, L., Hoag, B., Li, C. Sing, Liu, Z., Wai, J., Liu, X., Liang, J., and Tan, M. Wah (2024) Discovery of GuaB inhibitors with efficacy against infection. mBio. 15, e0089724

Kofoed, E. M., Aliagas, I., Crawford, T., Mao, J., Harris, S. F., Xu, M., Wang, S., Wu, P., Ma, F., Clark, K., Sims, J., Xu, Y., Peng, Y., Skippington, E., Yang, Y., Reeder, J., Ubhayakar, S., Baumgardner, M., Yan, Z., Chen, J., Park, S., Zhang, H., Yen, C. - W., Lorenzo, M., Skelton, N., Liang, X., Chen, L., Hoag, B., Li, C. Sing, Liu, Z., Wai, J., Liu, X., Liang, J., and Tan, M. Wah (2024) Discovery of GuaB inhibitors with efficacy against infection. mBio. 15, e0089724

Zhou, Y., Aliagas, I., Wang, S., Li, C. Sing, Liu, Z., Bowman, C. M., Burdick, D. J., Clark, K. R., Dening, T. J., Flygare, J., Ganti, A., Girgis, H. S., Hanan, E. J., Harris, S. F., Hu, C., Kapadia, S. B., Koehler, M. F. T., Lai, T., Liang, J., Liu, X., Ma, F., Mao, J., Nicolai, J., Sims, J., Unhayaker, S., Wai, J., Wang, X., Wu, P., Xu, Y., Yen, C. - W., Zhang, R., Elfert, T. F., Tan, M. - W., Kofoed, E. M., and Crawford, T. D. (2024) Discovery of potent dihydro-oxazinoquinolinone inhibitors of GuaB for the treatment of tuberculosis. Bioorg Med Chem Lett. 10.1016/j.bmcl.2024.130026

Zhou, Y., Aliagas, I., Wang, S., Li, C. Sing, Liu, Z., Bowman, C. M., Burdick, D. J., Clark, K. R., Dening, T. J., Flygare, J., Ganti, A., Girgis, H. S., Hanan, E. J., Harris, S. F., Hu, C., Kapadia, S. B., Koehler, M. F. T., Lai, T., Liang, J., Liu, X., Ma, F., Mao, J., Nicolai, J., Sims, J., Unhayaker, S., Wai, J., Wang, X., Wu, P., Xu, Y., Yen, C. - W., Zhang, R., Elfert, T. F., Tan, M. - W., Kofoed, E. M., and Crawford, T. D. (2024) Discovery of potent dihydro-oxazinoquinolinone inhibitors of GuaB for the treatment of tuberculosis. Bioorg Med Chem Lett. 10.1016/j.bmcl.2024.130026

Zhou, Y., Aliagas, I., Wang, S., Li, C. Sing, Liu, Z., Bowman, C. M., Burdick, D. J., Clark, K. R., Dening, T. J., Flygare, J., Ganti, A., Girgis, H. S., Hanan, E. J., Harris, S. F., Hu, C., Kapadia, S. B., Koehler, M. F. T., Lai, T., Liang, J., Liu, X., Ma, F., Mao, J., Nicolai, J., Sims, J., Unhayaker, S., Wai, J., Wang, X., Wu, P., Xu, Y., Yen, C. - W., Zhang, R., Elfert, T. F., Tan, M. - W., Kofoed, E. M., and Crawford, T. D. (2024) Discovery of potent dihydro-oxazinoquinolinone inhibitors of GuaB for the treatment of tuberculosis. Bioorg Med Chem Lett. 10.1016/j.bmcl.2024.130026

Zhou, Y., Aliagas, I., Wang, S., Li, C. Sing, Liu, Z., Bowman, C. M., Burdick, D. J., Clark, K. R., Dening, T. J., Flygare, J., Ganti, A., Girgis, H. S., Hanan, E. J., Harris, S. F., Hu, C., Kapadia, S. B., Koehler, M. F. T., Lai, T., Liang, J., Liu, X., Ma, F., Mao, J., Nicolai, J., Sims, J., Unhayaker, S., Wai, J., Wang, X., Wu, P., Xu, Y., Yen, C. - W., Zhang, R., Elfert, T. F., Tan, M. - W., Kofoed, E. M., and Crawford, T. D. (2024) Discovery of potent dihydro-oxazinoquinolinone inhibitors of GuaB for the treatment of tuberculosis. Bioorg Med Chem Lett. 10.1016/j.bmcl.2024.130026

Ketcham, J. M., Harwood, S. J., Aranda, R., Aloiau, A. N., Bobek, B. M., Briere, D. M., Burns, A. C., Haatveit, K. Caddell, Calinisan, A., Clarine, J., Elliott, A., Engstrom, L. D., Gunn, R. J., Ivetac, A., Jones, B., Kuehler, J., J Lawson, D., Nguyen, N., Parker, C., Pearson, K. E., Rahbaek, L., Saechao, B., Wang, X., Waters, A., Waters, L., Watkins, A. H., Olson, P., Smith, C. R., Christensen, J. G., and Marx, M. A. (2024) Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3Kα Mutant Protein.. J Med Chem. 67, 4936-4949

Ketcham, J. M., Harwood, S. J., Aranda, R., Aloiau, A. N., Bobek, B. M., Briere, D. M., Burns, A. C., Haatveit, K. Caddell, Calinisan, A., Clarine, J., Elliott, A., Engstrom, L. D., Gunn, R. J., Ivetac, A., Jones, B., Kuehler, J., J Lawson, D., Nguyen, N., Parker, C., Pearson, K. E., Rahbaek, L., Saechao, B., Wang, X., Waters, A., Waters, L., Watkins, A. H., Olson, P., Smith, C. R., Christensen, J. G., and Marx, M. A. (2024) Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3Kα Mutant Protein.. J Med Chem. 67, 4936-4949

Ketcham, J. M., Harwood, S. J., Aranda, R., Aloiau, A. N., Bobek, B. M., Briere, D. M., Burns, A. C., Haatveit, K. Caddell, Calinisan, A., Clarine, J., Elliott, A., Engstrom, L. D., Gunn, R. J., Ivetac, A., Jones, B., Kuehler, J., J Lawson, D., Nguyen, N., Parker, C., Pearson, K. E., Rahbaek, L., Saechao, B., Wang, X., Waters, A., Waters, L., Watkins, A. H., Olson, P., Smith, C. R., Christensen, J. G., and Marx, M. A. (2024) Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3Kα Mutant Protein.. J Med Chem. 67, 4936-4949

Ketcham, J. M., Harwood, S. J., Aranda, R., Aloiau, A. N., Bobek, B. M., Briere, D. M., Burns, A. C., Haatveit, K. Caddell, Calinisan, A., Clarine, J., Elliott, A., Engstrom, L. D., Gunn, R. J., Ivetac, A., Jones, B., Kuehler, J., J Lawson, D., Nguyen, N., Parker, C., Pearson, K. E., Rahbaek, L., Saechao, B., Wang, X., Waters, A., Waters, L., Watkins, A. H., Olson, P., Smith, C. R., Christensen, J. G., and Marx, M. A. (2024) Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3Kα Mutant Protein.. J Med Chem. 67, 4936-4949

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The Northeastern Collaborative Access Team (NE-CAT) facility at the Advanced Photon Source at Argonne National Laboratory is managed by Cornell University and consists of eight member institutions:

Columbia University
Cornell University
Genentech
Harvard University
Memorial Sloan-Kettering Cancer Center
Massachusetts Institute of Technology
Rockefeller University
Yale University

Primary funding for this project comes from the National Institute of General Medical Sciences (NIGMS), a division of the National Institutes of Health (NIH). Additional financial support for NE-CAT comes from the member institutions.