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Found 600 results
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2026
Kim, D., Woodbury, S. M., Ahern, W., Tischer, D., Kang, A., Joyce, E., Bera, A. K., Hanikel, N., Salike, S., Krishna, R., Yim, J., Pellock, S. J., Lauko, A., Kalvet, I., Hilvert, D., and Baker, D. (2026) Computational design of metallohydrolases. Nature. 649, 246-253
Smil, D., Liu, Y., Xin, T., Kiyota, T., Aman, A., Grouleff, J., Hoffer, L., Joshi, D. C., Inanlou, M. R., Song, S., Mao, D. Y. L., Ogunjimi, A. A., Pau, V., Chini, F. D., Kurinov, I., Zhang, Y., Nguyen, A. Thu, Wrana, J. L., Sicheri, F., Attisano, L., Uehling, D., Al-awar, R., and Isaac, M. B. (2026) Discovery and development of potent and selective dual NUAK/MARK inhibitors as Hippo pathway modulators for the treatment of cancer. Eur J Med Chem. 311, 118798
Chen, H., Dutta, R. Prasad, Li, Z., Zhong, Y., Ma, A., Park, K. - S., Kottur, J., Park, A., Babault, N., Wang, K., Wang, D., Xiong, Y., H Kaniskan, Ü., Luo, M., Parekh, S., and Jin, J. (2026) Discovery of a Potent, Selective, and In Vivo Efficacious Covalent Inhibitor for Lysine Methyltransferase SETD8. J Med Chem. 69, 4255-4269
Shibata, S., Wang, M. Y., Imasaki, T., Shigematsu, H., La Torre, D. Ugarte, Wei, Y., Jobichen, C., Hagio, H., Sivaraman, J., Sugita, Y., Endow, S. A., and Nitta, R. (2026) Structural analysis of a motor with increased mechanical output reveals new transitions in kinesin microtubule motility. Sci Rep. 16, 487
Hromas, R. A., Jaiswal, A. S., Misra, A., Yuan, Y., Zhou, D., Beckman, J. I., Arya, S., Chidambaram, A., Taylor, A. B., Griffith, W., Jaiswal, A., Williamson, E. A., and Gupta, Y. K. (2026) Structural Basis for the Mechanism and Stability of the EEPD1 5' Endonuclease. J Biol Chem. 10.1016/j.jbc.2026.111432
Hromas, R. A., Jaiswal, A. S., Misra, A., Yuan, Y., Zhou, D., Beckman, J. I., Arya, S., Chidambaram, A., Taylor, A. B., Griffith, W., Jaiswal, A., Williamson, E. A., and Gupta, Y. K. (2026) Structural Basis for the Mechanism and Stability of the EEPD1 5' Endonuclease. J Biol Chem. 10.1016/j.jbc.2026.111432
2025
Primi, M. C., Tavares, M. T., Hatcher, J. M., Kang, H., Kresina, T. A. C., Chakraborty, S., Leroy, E., Schmoker, A. M., Jeon, H., Weisberg, E. L., Akatsu, T., Griffin, J. D., Scott, D. A., and Eck, M. J. (2025) Allosteric inhibition of JAK2 with lysine-reactive compounds that bind the pseudokinase domain. Eur J Med Chem. 302, 118274
Simanshu, D. K., Xu, R., Stice, J. P., Czyzyk, D. J., Feng, S., Denson, J. - P., Riegler, E., Yang, Y., Zhang, C., Donovan, S., Smith, B. P., Abreu-Blanco, M., Chen, M., Feng, C., Fu, L., Rabara, D., Young, L. C., Dyba, M., Yan, W., Lin, K., Ghorbanpoorvalukolaie, S., Larsen, E. K., Malik, W., Champagne, A., Parker, K., Ju, J. Hyun, Jeknic, S., Esposito, D., Turner, D. M., Lightstone, F. C., Wang, B., Wehn, P. M., Wang, K., Stephen, A. G., Maciag, A. E., Hata, A. N., Sinkevicius, K. W., Nissley, D. V., Wallace, E. M., McCormick, F., and Beltran, P. J. (2025) BBO-10203 inhibits tumor growth without inducing hyperglycemia by blocking RAS-PI3Kα interaction.. Science. 10.1126/science.adq2004
Simanshu, D. K., Xu, R., Stice, J. P., Czyzyk, D. J., Feng, S., Denson, J. - P., Riegler, E., Yang, Y., Zhang, C., Donovan, S., Smith, B. P., Abreu-Blanco, M., Chen, M., Feng, C., Fu, L., Rabara, D., Young, L. C., Dyba, M., Yan, W., Lin, K., Ghorbanpoorvalukolaie, S., Larsen, E. K., Malik, W., Champagne, A., Parker, K., Ju, J. Hyun, Jeknic, S., Esposito, D., Turner, D. M., Lightstone, F. C., Wang, B., Wehn, P. M., Wang, K., Stephen, A. G., Maciag, A. E., Hata, A. N., Sinkevicius, K. W., Nissley, D. V., Wallace, E. M., McCormick, F., and Beltran, P. J. (2025) BBO-10203 inhibits tumor growth without inducing hyperglycemia by blocking RAS-PI3Kα interaction.. Science. 10.1126/science.adq2004
Kröll-Hermi, A., Stoetzel, C., Etard, C., Halabelian, L., Schaefer, E., Scheidecker, S., Kahrizi, K., Payman, J., Geoffroy, V., Prasad, M., Obringer, C., Ruch, L., Girard, A., Zeng, H., Li, F., Plassard, D., Keime, C., Mattioli, F., Feger, C., Piton, A., Fujita, A., Matsumoto, N., Castro, M. Augusto Ar, Ae, K. Chong, Ruaud, L., Levy, J., Dozières, B., Tabet, A. - C., Wentzensen, I. M., Santiago-Sim, T., Yusupov, R., Tveten, K., Smeland, M. Falkenberg, Alkhunaizi, E., Cowing, G., Li, C., Wortmann, S. B., Feichtinger, R. G., Mayr, J. A., Gonorazky, H., Jing, G., Wang, X., Wang, J., Bierhals, T., Grinstein, L., Herget, T., Ruiz, A., Gabau, E., Kampmeier, A., Kassel, O., Kuechler, A., Platzer, K., Jamra, R. Abou, Woerner, A., Idleburg, M., Kircher, S. Gerit, Laccone, F., Golob, B., Peterlin, B., Čuturilo, G., Tasic, V., Kolvenbach, C. M., Hildebrandt, F., Ramos, L. L. P., Kok, F., Buck, C. Barbosa, van de Laar, I. M. B. H., de Man, S. A., Taşdelen, E., Sezer, A., Büke, A., Yavuz, Z., Çomoğlu, S. Selçuk, Costin, C., Them, F. Tran Mau, Lacaze, E., Courtin, T., Héron, D., Keren, B., Whalen, S., Roume, J., Yang, Y., Hoffer, M. J. V., van Haeringen, A., Najmabadi, H., Arrowsmith, C. H., Strähle, U., Dollfus, H., and Muller, J. (2025) Bi-allelic PRMT9 loss-of-function variants cause a syndromic form of intellectual disability. Am J Hum Genet. 10.1016/j.ajhg.2025.10.014
Kröll-Hermi, A., Stoetzel, C., Etard, C., Halabelian, L., Schaefer, E., Scheidecker, S., Kahrizi, K., Payman, J., Geoffroy, V., Prasad, M., Obringer, C., Ruch, L., Girard, A., Zeng, H., Li, F., Plassard, D., Keime, C., Mattioli, F., Feger, C., Piton, A., Fujita, A., Matsumoto, N., Castro, M. Augusto Ar, Ae, K. Chong, Ruaud, L., Levy, J., Dozières, B., Tabet, A. - C., Wentzensen, I. M., Santiago-Sim, T., Yusupov, R., Tveten, K., Smeland, M. Falkenberg, Alkhunaizi, E., Cowing, G., Li, C., Wortmann, S. B., Feichtinger, R. G., Mayr, J. A., Gonorazky, H., Jing, G., Wang, X., Wang, J., Bierhals, T., Grinstein, L., Herget, T., Ruiz, A., Gabau, E., Kampmeier, A., Kassel, O., Kuechler, A., Platzer, K., Jamra, R. Abou, Woerner, A., Idleburg, M., Kircher, S. Gerit, Laccone, F., Golob, B., Peterlin, B., Čuturilo, G., Tasic, V., Kolvenbach, C. M., Hildebrandt, F., Ramos, L. L. P., Kok, F., Buck, C. Barbosa, van de Laar, I. M. B. H., de Man, S. A., Taşdelen, E., Sezer, A., Büke, A., Yavuz, Z., Çomoğlu, S. Selçuk, Costin, C., Them, F. Tran Mau, Lacaze, E., Courtin, T., Héron, D., Keren, B., Whalen, S., Roume, J., Yang, Y., Hoffer, M. J. V., van Haeringen, A., Najmabadi, H., Arrowsmith, C. H., Strähle, U., Dollfus, H., and Muller, J. (2025) Bi-allelic PRMT9 loss-of-function variants cause a syndromic form of intellectual disability. Am J Hum Genet. 10.1016/j.ajhg.2025.10.014
Jangra, M., Travin, D. Y., Aleksandrova, E. V., Kaur, M., Darwish, L., Koteva, K., Klepacki, D., Wang, W., Tiffany, M., Sokaribo, A., Coombes, B. K., Vázquez-Laslop, N., Polikanov, Y. S., Mankin, A. S., and Wright, G. D. (2025) A broad-spectrum lasso peptide antibiotic targeting the bacterial ribosome. Nature. 10.1038/s41586-025-08723-7
Justen, S. F., Fenwick, M. K., Axt, K. K., Cherry, J. A., Ealick, S. E., and Philmus, B. (2025) Crystal Structure, Modeling, and Identification of Key Residues Provide Insights into the Mechanism of the Key Toxoflavin Biosynthesis Protein ToxD. Biochemistry. 10.1021/acs.biochem.4c00421
Torres, S. Vázquez, Valle, M. Benard, Mackessy, S. P., Menzies, S. K., Casewell, N. R., Ahmadi, S., Burlet, N. J., Muratspahić, E., Sappington, I., Overath, M. D., Rivera-de-Torre, E., Ledergerber, J., Laustsen, A. H., Boddum, K., Bera, A. K., Kang, A., Brackenbrough, E., Cardoso, I. A., Crittenden, E. P., Edge, R. J., Decarreau, J., Ragotte, R. J., Pillai, A. S., Abedi, M., Han, H. L., Gerben, S. R., Murray, A., Skotheim, R., Stuart, L., Stewart, L., Fryer, T. J. A., Jenkins, T. P., and Baker, D. (2025) De novo designed proteins neutralize lethal snake venom toxins. Nature. 10.1038/s41586-024-08393-x
Broerman, A. J., Pollmann, C., Zhao, Y., Lichtenstein, M. A., Jackson, M. D., Tessmer, M. H., Ryu, W. Hee, Ogishi, M., Abedi, M. H., Sahtoe, D. D., Allen, A., Kang, A., De La Cruz, J., Brackenbrough, E., Sankaran, B., Bera, A. K., Zuckerman, D. M., Stoll, S., K Garcia, C., Praetorius, F., Piehler, J., and Baker, D. (2025) Design of facilitated dissociation enables timing of cytokine signalling. Nature. 10.1038/s41586-025-09549-z
Tresco, B. I. C., J Y Wu, K., Ramkissoon, A., Aleksandrova, E. V., Purdy, M., N Y See, D., Liu, R. Y., Polikanov, Y. S., and Myers, A. G. (2025) Discovery of a fluorinated macrobicyclic antibiotic through chemical synthesis. Nat Chem. 10.1038/s41557-025-01738-7
Bergman, H. M., Fan, A. T., Jones, C. G., Rothenberger, A. J., Jha, K. K., Handford, R. C., Nelson, H. M., Liu, Y., and T Tilley, D. (2025) Discovery of an Interlocked and Interwoven Molecular Topology in Nanocarbons via Dynamic C-C Bond Formation. J Am Chem Soc. 147, 19132-19138
Bergman, H. M., Fan, A. T., Jones, C. G., Rothenberger, A. J., Jha, K. K., Handford, R. C., Nelson, H. M., Liu, Y., and T Tilley, D. (2025) Discovery of an Interlocked and Interwoven Molecular Topology in Nanocarbons via Dynamic C-C Bond Formation. J Am Chem Soc. 147, 19132-19138
Słabicki, M., Park, J., Nowak, R. P., Burman, S. S. Roy, Pellman, J., Zou, C., Razumkov, H., Carreiro, J., Rastogi, S., Goldstein, A., Nagiec, M. M., Donovan, K. A., Che, J., Hunkeler, M., Geng, Q., Hsu, C. - L., Lakshminarayan, M., Shu, C., Zon, R. L., Kozicka, Z., Park, P. M. C., Tsai, J. M., Yoon, H., Jones, L. H., Sperling, A. S., Gray, N. S., Fischer, E. S., and Ebert, B. L. (2025) Expanding the druggable zinc-finger proteome defines properties of drug-induced degradation. Mol Cell. 85, 3184-3201.e14
Dussupt, V., Jensen, J. L., Thomas, P. V., Mendez-Rivera, L., Lal, K. G., McCrea, M. Zemil, Swafford, I., Hernandez, J., Sankhala, R. S., Rao, M., Arora, J., Hajduczki, A., Jian, N., Rees, P. A., De Leon, I. Showell-, Smith, G., Smith, L., Wasson, D., Schmid, A., Teng, I. - T., Zhou, T., Kwong, P. D., Currier, J. R., Reiley, W. W., Paquin-Proulx, D., Polonis, V. R., Collins, N. D., Michael, N. L., M Joyce, G., and Krebs, S. J. (2025) First-generation N-terminal domain supersite public antibodies retain activity against Omicron-derived lineages and protect mice against Omicron BA.5 challenge. mBio. 16, e0103625
Dussupt, V., Jensen, J. L., Thomas, P. V., Mendez-Rivera, L., Lal, K. G., McCrea, M. Zemil, Swafford, I., Hernandez, J., Sankhala, R. S., Rao, M., Arora, J., Hajduczki, A., Jian, N., Rees, P. A., De Leon, I. Showell-, Smith, G., Smith, L., Wasson, D., Schmid, A., Teng, I. - T., Zhou, T., Kwong, P. D., Currier, J. R., Reiley, W. W., Paquin-Proulx, D., Polonis, V. R., Collins, N. D., Michael, N. L., M Joyce, G., and Krebs, S. J. (2025) First-generation N-terminal domain supersite public antibodies retain activity against Omicron-derived lineages and protect mice against Omicron BA.5 challenge. mBio. 16, e0103625
Dussupt, V., Jensen, J. L., Thomas, P. V., Mendez-Rivera, L., Lal, K. G., McCrea, M. Zemil, Swafford, I., Hernandez, J., Sankhala, R. S., Rao, M., Arora, J., Hajduczki, A., Jian, N., Rees, P. A., De Leon, I. Showell-, Smith, G., Smith, L., Wasson, D., Schmid, A., Teng, I. - T., Zhou, T., Kwong, P. D., Currier, J. R., Reiley, W. W., Paquin-Proulx, D., Polonis, V. R., Collins, N. D., Michael, N. L., M Joyce, G., and Krebs, S. J. (2025) First-generation N-terminal domain supersite public antibodies retain activity against Omicron-derived lineages and protect mice against Omicron BA.5 challenge. mBio. 16, e0103625
Clyde-Allen, E., Zmudzinski, M., Afsar, M., James, C., Nayak, A., Nayak, D., Bury, P. Dos Santos, Jochmans, D., Neyts, J., Scott, C. J., Olsen, S. K., Drag, M., and Williams, R. (2025) Identification and Exploration of a Series of SARS-Cov‑2 M Cyano-Based Inhibitors Revealing Ortho-Substitution Effects within the P3 Biphenyl Group.. ACS Med Chem Lett. 16, 1935-1945
Clyde-Allen, E., Zmudzinski, M., Afsar, M., James, C., Nayak, A., Nayak, D., Bury, P. Dos Santos, Jochmans, D., Neyts, J., Scott, C. J., Olsen, S. K., Drag, M., and Williams, R. (2025) Identification and Exploration of a Series of SARS-Cov‑2 M Cyano-Based Inhibitors Revealing Ortho-Substitution Effects within the P3 Biphenyl Group.. ACS Med Chem Lett. 16, 1935-1945
Fullenkamp, C. R., Mehdi, S., Jones, C. P., Tenney, L., Pichling, P., Prestwood, P. R., Ferré-D'Amaré, A. R., Tiwary, P., and Schneekloth, J. S. (2025) Machine Learning-Augmented Molecular Dynamics Simulations (MD) Reveal Insights Into the Disconnect Between Affinity and Activation of ZTP Riboswitch Ligands. Angew Chem Int Ed Engl. 10.1002/anie.202505971

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