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2024
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
Sun, D., Storek, K. M., Tegunov, D., Yang, Y., Arthur, C. P., Johnson, M., Quinn, J. G., Liu, W., Han, G., Girgis, H. S., Alexander, M. Kate, Murchison, A. K., Shriver, S., Tam, C., Ijiri, H., Inaba, H., Sano, T., Yanagida, H., Nishikawa, J., Heise, C. E., Fairbrother, W. J., Tan, M. - W., Skelton, N., Sandoval, W., Sellers, B. D., Ciferri, C., Smith, P. A., Reid, P. C., Cunningham, C. N., Rutherford, S. T., and Payandeh, J. (2024) The discovery and structural basis of two distinct state-dependent inhibitors of BamA. Nat Commun. 15, 8718
Sun, D., Storek, K. M., Tegunov, D., Yang, Y., Arthur, C. P., Johnson, M., Quinn, J. G., Liu, W., Han, G., Girgis, H. S., Alexander, M. Kate, Murchison, A. K., Shriver, S., Tam, C., Ijiri, H., Inaba, H., Sano, T., Yanagida, H., Nishikawa, J., Heise, C. E., Fairbrother, W. J., Tan, M. - W., Skelton, N., Sandoval, W., Sellers, B. D., Ciferri, C., Smith, P. A., Reid, P. C., Cunningham, C. N., Rutherford, S. T., and Payandeh, J. (2024) The discovery and structural basis of two distinct state-dependent inhibitors of BamA. Nat Commun. 15, 8718
Sun, D., Storek, K. M., Tegunov, D., Yang, Y., Arthur, C. P., Johnson, M., Quinn, J. G., Liu, W., Han, G., Girgis, H. S., Alexander, M. Kate, Murchison, A. K., Shriver, S., Tam, C., Ijiri, H., Inaba, H., Sano, T., Yanagida, H., Nishikawa, J., Heise, C. E., Fairbrother, W. J., Tan, M. - W., Skelton, N., Sandoval, W., Sellers, B. D., Ciferri, C., Smith, P. A., Reid, P. C., Cunningham, C. N., Rutherford, S. T., and Payandeh, J. (2024) The discovery and structural basis of two distinct state-dependent inhibitors of BamA. Nat Commun. 15, 8718
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
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
Sankhala, R. S., Lal, K. G., Jensen, J. L., Dussupt, V., Mendez-Rivera, L., Bai, H., Wieczorek, L., Mayer, S. V., Zemil, M., Wagner, D. A., Townsley, S. M., Hajduczki, A., Chang, W. C., Chen, W. - H., Donofrio, G. C., Jian, N., King, H. A. D., Lorang, C. G., Martinez, E. J., Rees, P. A., Peterson, C. E., Schmidt, F., Hart, T. J., Duso, D. K., Kummer, L. W., Casey, S. P., Williams, J. K., Kannan, S., Slike, B. M., Smith, L., Swafford, I., Thomas, P. V., Tran, U., Currier, J. R., Bolton, D. L., Davidson, E., Doranz, B. J., Hatziioannou, T., Bieniasz, P. D., Paquin-Proulx, D., Reiley, W. W., Rolland, M., Sullivan, N. J., Vasan, S., Collins, N. D., Modjarrad, K., Gromowski, G. D., Polonis, V. R., Michael, N. L., Krebs, S. J., and M Joyce, G. (2024) Diverse array of neutralizing antibodies elicited upon Spike Ferritin Nanoparticle vaccination in rhesus macaques. Nat Commun. 15, 200
Sankhala, R. S., Lal, K. G., Jensen, J. L., Dussupt, V., Mendez-Rivera, L., Bai, H., Wieczorek, L., Mayer, S. V., Zemil, M., Wagner, D. A., Townsley, S. M., Hajduczki, A., Chang, W. C., Chen, W. - H., Donofrio, G. C., Jian, N., King, H. A. D., Lorang, C. G., Martinez, E. J., Rees, P. A., Peterson, C. E., Schmidt, F., Hart, T. J., Duso, D. K., Kummer, L. W., Casey, S. P., Williams, J. K., Kannan, S., Slike, B. M., Smith, L., Swafford, I., Thomas, P. V., Tran, U., Currier, J. R., Bolton, D. L., Davidson, E., Doranz, B. J., Hatziioannou, T., Bieniasz, P. D., Paquin-Proulx, D., Reiley, W. W., Rolland, M., Sullivan, N. J., Vasan, S., Collins, N. D., Modjarrad, K., Gromowski, G. D., Polonis, V. R., Michael, N. L., Krebs, S. J., and M Joyce, G. (2024) Diverse array of neutralizing antibodies elicited upon Spike Ferritin Nanoparticle vaccination in rhesus macaques. Nat Commun. 15, 200
Sankhala, R. S., Lal, K. G., Jensen, J. L., Dussupt, V., Mendez-Rivera, L., Bai, H., Wieczorek, L., Mayer, S. V., Zemil, M., Wagner, D. A., Townsley, S. M., Hajduczki, A., Chang, W. C., Chen, W. - H., Donofrio, G. C., Jian, N., King, H. A. D., Lorang, C. G., Martinez, E. J., Rees, P. A., Peterson, C. E., Schmidt, F., Hart, T. J., Duso, D. K., Kummer, L. W., Casey, S. P., Williams, J. K., Kannan, S., Slike, B. M., Smith, L., Swafford, I., Thomas, P. V., Tran, U., Currier, J. R., Bolton, D. L., Davidson, E., Doranz, B. J., Hatziioannou, T., Bieniasz, P. D., Paquin-Proulx, D., Reiley, W. W., Rolland, M., Sullivan, N. J., Vasan, S., Collins, N. D., Modjarrad, K., Gromowski, G. D., Polonis, V. R., Michael, N. L., Krebs, S. J., and M Joyce, G. (2024) Diverse array of neutralizing antibodies elicited upon Spike Ferritin Nanoparticle vaccination in rhesus macaques. Nat Commun. 15, 200
Moyer, A. P., Ramelot, T. A., Curti, M., Eastman, M. A., Kang, A., Bera, A. K., Tejero, R., Salveson, P. J., Curutchet, C., Romero, E., Montelione, G. T., and Baker, D. (2024) Enumerative Discovery of Noncanonical Polypeptide Secondary Structures. J Am Chem Soc. 146, 25501-25512
Rudolph, M. J., Tsymbal, A. M., Dutta, A., Davis, S. A., Algava, B., Roberge, J. Y., Tumer, N. E., and Li, X. - P. (2024) Fragment Screening to Identify Inhibitors Targeting Ribosome Binding of Shiga Toxin 2. ACS Infect Dis. 10.1021/acsinfecdis.4c00224
Rudolph, M. J., Tsymbal, A. M., Dutta, A., Davis, S. A., Algava, B., Roberge, J. Y., Tumer, N. E., and Li, X. - P. (2024) Fragment Screening to Identify Inhibitors Targeting Ribosome Binding of Shiga Toxin 2. ACS Infect Dis. 10.1021/acsinfecdis.4c00224
Rasool, S., Shomali, T., Truong, L., Croteau, N., Veyron, S., Bustillos, B. A., Springer, W., Fiesel, F. C., and Trempe, J. - F. (2024) Identification and structural characterization of small molecule inhibitors of PINK1. Sci Rep. 14, 7739
Rasool, S., Shomali, T., Truong, L., Croteau, N., Veyron, S., Bustillos, B. A., Springer, W., Fiesel, F. C., and Trempe, J. - F. (2024) Identification and structural characterization of small molecule inhibitors of PINK1. Sci Rep. 14, 7739
Ohler, A., Taylor, P. E., Bledsoe, J. A., Iavarone, A. T., Gilbert, N. C., and Offenbacher, A. R. (2024) Identification of the Thermal Activation Network in Human 15-Lipoxygenase-2: Divergence from Plant Orthologs and Its Relationship to Hydrogen Tunneling Activation Barriers. ACS Catal. 14, 5444-5457
Richmond-Buccola, D., Hobbs, S. J., Garcia, J. M., Toyoda, H., Gao, J., Shao, S., S Y Lee, A., and Kranzusch, P. J. (2024) A large-scale type I CBASS antiphage screen identifies the phage prohead protease as a key determinant of immune activation and evasion. Cell Host Microbe. 32, 1074-1088.e5
Torrens-Spence, M. P., Matos, J. O., Li, T., Kastner, D. W., Kim, C. Y., Wang, Z., Glinkerman, C. M., Sherk, J., Kulik, H. J., Wang, Y., and Weng, J. - K. (2024) Mechanistic basis for the emergence of EPS1 as a catalyst in salicylic acid biosynthesis of Brassicaceae. Nat Commun. 15, 10356
Li, Z., Jiang, J., Ficarro, S. B., Beyett, T. S., To, C., Tavares, I., Zhu, Y., Li, J., Eck, M. J., Jänne, P. A., Marto, J. A., Zhang, T., Che, J., and Gray, N. S. (2024) Molecular Bidents with Two Electrophilic Warheads as a New Pharmacological Modality. ACS Cent Sci. 10, 1156-1166
Li, Z., Jiang, J., Ficarro, S. B., Beyett, T. S., To, C., Tavares, I., Zhu, Y., Li, J., Eck, M. J., Jänne, P. A., Marto, J. A., Zhang, T., Che, J., and Gray, N. S. (2024) Molecular Bidents with Two Electrophilic Warheads as a New Pharmacological Modality. ACS Cent Sci. 10, 1156-1166
Kilgas, S., Syed, A., Toolan-Kerr, P., Swift, M. L., Roychoudhury, S., Sarkar, A., Wilkins, S., Quigley, M., Poetsch, A. R., Botuyan, M. Victoria, Cui, G., Mer, G., Ule, J., Drané, P., and Chowdhury, D. (2024) NEAT1 modulates the TIRR/53BP1 complex to maintain genome integrity. Nat Commun. 15, 8438
Tanner, J. J., Ji, J., Bogner, A. N., Scott, G. K., Patel, S. M., Seravalli, J., Gates, K. S., Benz, C. C., and Becker, D. F. (2024) Noncovalent Inhibition and Covalent Inactivation of Proline Dehydrogenase by Analogs of -Propargylglycine. Biochemistry. 63, 2855-2867
Gama, F. H. de Souza, Dutra, L. A., Hawgood, M., Reis, C. Vinícius, Serafim, R. A. M., Ferreira, M. A., Teodoro, B. V. M., Takarada, J. Emi, Santiago, A. S., Balourdas, D. - I., Nilsson, A. - S., Urien, B., Almeida, V. M., Gileadi, C., Ramos, P. Z., Salmazo, A., Vasconcelos, S. N. S., Cunha, M. R., Mueller, S., Knapp, S., Massirer, K. B., Elkins, J. M., Gileadi, O., Mascarello, A., Lemmens, B. B. L. G., Guimarães, C. R. W., Azevedo, H., and Couñago, R. M. (2024) Novel Dihydropteridinone Derivatives As Potent Inhibitors of the Understudied Human Kinases Vaccinia-Related Kinase 1 and Casein Kinase 1δ/ε.. J Med Chem. 67, 8609-8629
Gama, F. H. de Souza, Dutra, L. A., Hawgood, M., Reis, C. Vinícius, Serafim, R. A. M., Ferreira, M. A., Teodoro, B. V. M., Takarada, J. Emi, Santiago, A. S., Balourdas, D. - I., Nilsson, A. - S., Urien, B., Almeida, V. M., Gileadi, C., Ramos, P. Z., Salmazo, A., Vasconcelos, S. N. S., Cunha, M. R., Mueller, S., Knapp, S., Massirer, K. B., Elkins, J. M., Gileadi, O., Mascarello, A., Lemmens, B. B. L. G., Guimarães, C. R. W., Azevedo, H., and Couñago, R. M. (2024) Novel Dihydropteridinone Derivatives As Potent Inhibitors of the Understudied Human Kinases Vaccinia-Related Kinase 1 and Casein Kinase 1δ/ε.. J Med Chem. 67, 8609-8629

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