Publications

Zhang, C. - H., Stone, E. A., Deshmukh, M., Ippolito, J. A., Ghahremanpour, M. M., Tirado-Rives, J., Spasov, K. A., Zhang, S., Takeo, Y., Kudalkar, S. N., Liang, Z., Isaacs, F., Lindenbach, B., Miller, S. J., Anderson, K. S., and Jorgensen, W. L. (2021) Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations. ACS Cent Sci. 7, 467-475
Iketani, S., Forouhar, F., Liu, H., Hong, S. Jung, Lin, F. - Y., Nair, M. S., Zask, A., Huang, Y., Xing, L., Stockwell, B. R., Chavez, A., and Ho, D. D. (2021) Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors. Nat Commun. 12, 2016
Yu, Q., Anderson, D. E., Kaur, R., Fisher, A. J., and Ames, J. B. (2021) The Crystal Structure of Calmodulin Bound to the Cardiac Ryanodine Receptor (RyR2) at Residues Phe4246-Val4271 Reveals a Fifth Calcium Binding Site. Biochemistry. 10.1021/acs.biochem.1c00152
Dawson, C. D., Irwin, S. M., Backman, L. R. F., Le, C., Wang, J. X., Vennelakanti, V., Yang, Z., Kulik, H. J., Drennan, C. L., and Balskus, E. P. (2021) Molecular basis of C-S bond cleavage in the glycyl radical enzyme isethionate sulfite-lyase. Cell Chem Biol. 10.1016/j.chembiol.2021.03.001
Tayeb-Fligelman, E., Cheng, X., Tai, C., Bowler, J. T., Griner, S., Sawaya, M. R., Seidler, P. M., Jiang, Y. Xiao, Lu, J., Rosenberg, G. M., Salwinski, L., Abskharon, R., Zee, C. - T., Hou, K., Li, Y., Boyer, D. R., Murray, K. A., Falcon, G., Anderson, D. H., Cascio, D., Saelices, L., Damoiseaux, R., Guo, F., and Eisenberg, D. S. (2021) Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2. bioRxiv. 10.1101/2021.03.05.434000
Silvaroli, J. A., Plau, J., Adams, C. H., Banerjee, S., Widjaja-Adhi, M. Airanthi K., Blaner, W. S., and Golczak, M. (2021) Molecular basis for the interaction of cellular retinol-binding protein 2 (CRBP2) with non-retinoid ligands. J Lipid Res. 10.1016/j.jlr.2021.100054
Zhou, W., Mohr, L., Maciejowski, J., and Kranzusch, P. J. (2021) cGAS phase separation inhibits TREX1-mediated DNA degradation and enhances cytosolic DNA sensing. Mol Cell. 81, 739-755.e7
York, N. J., Lockart, M. M., Sardar, S., Khadka, N., Shi, W., Stenkamp, R. E., Zhang, J., Kiser, P. D., and Pierce, B. S. (2021) Structure of 3-mercaptopropionic acid dioxygenase with a substrate analog reveals bidentate substrate binding at the iron center. J Biol Chem. 10.1016/j.jbc.2021.100492
Banerjee, A., Goldgur, Y., and Shuman, S. (2021) Structure of 3'-PO/5'-OH RNA ligase RtcB in complex with a 5'-OH oligonucleotide. RNA. 10.1261/rna.078692.121
Ippolito, J. A., Niu, H., Bertoletti, N., Carter, Z. J., Jin, S., Spasov, K. A., Cisneros, J. A., Valhondo, M., Cutrona, K. J., Anderson, K. S., and Jorgensen, W. L. (2021) Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead. ACS Med Chem Lett. 12, 249-255
Schwartz, J., Son, J., Brugger, C., and Deaconescu, A. M. (2021) Phospho-dependent signaling during the general stress response by the atypical response regulator and ClpXP adaptor RssB. Protein Sci. 10.1002/pro.4047
Tran, T. H., Chan, A. H., Young, L. C., Bindu, L., Neale, C., Messing, S., Dharmaiah, S., Taylor, T., Denson, J. - P., Esposito, D., Nissley, D. V., Stephen, A. G., McCormick, F., and Simanshu, D. K. (2021) KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation. Nat Commun. 12, 1176
Vorobieva, A. A., White, P., Liang, B., Horne, J. E., Bera, A. K., Chow, C. M., Gerben, S., Marx, S., Kang, A., Stiving, A. Q., Harvey, S. R., Marx, D. C., G Khan, N., Fleming, K. G., Wysocki, V. H., Brockwell, D. J., Tamm, L. K., Radford, S. E., and Baker, D. (2021) De novo design of transmembrane β barrels.. Science. 10.1126/science.abc8182
Yan, X., Wang, X., Li, Y., Zhou, M., Li, Y., Song, L., Mi, W., Min, J., and Dong, C. (2021) Molecular basis for ubiquitin ligase CRL2-mediated recognition of C-degron. Nat Chem Biol. 10.1038/s41589-020-00703-4
Baidin, V., Owens, T. W., Lazarus, M. B., and Kahne, D. (2021) Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase. J Am Chem Soc. 143, 623-627
Tassoulas, L. J., Elias, M. H., and Wackett, L. P. (2020) Discovery of an ultra-specific triuret hydrolase (TrtA) establishes the triuret biodegradation pathway. J Biol Chem. 10.1074/jbc.RA120.015631
Lim, D. C., Joukov, V., T Rettenmaier, J., Kumagai, A., Dunphy, W. G., Wells, J. A., and Yaffe, M. B. (2020) Redox priming promotes Aurora A activation during mitosis. Sci Signal. 10.1126/scisignal.abb6707
Koirala, S., Klein, J., Zheng, Y., Glenn, N. O., Eisemann, T., Tacer, K. Fon, Miller, D. J., Kulak, O., Lu, M., Finkelstein, D. B., Neale, G., Tillman, H., Vogel, P., Strand, D. W., Lum, L., Brautigam, C. A., Pascal, J. M., Clements, W. K., and Potts, P. Ryan (2020) Tissue-Specific Regulation of the Wnt/β-Catenin Pathway by PAGE4 Inhibition of Tankyrase.. Cell Rep. 32, 107922
Jonnalagadda, R., Flores, A. Del Rio, Cai, W., Mehmood, R., Narayanamoorthy, M., Ren, C., Zaragoza, J. Paulo T., Kulik, H. J., Zhang, W., and Drennan, C. L. (2020) Biochemical and crystallographic investigations into isonitrile formation by a non-heme iron-dependent oxidase/decarboxylase. J Biol Chem. 10.1074/jbc.RA120.015932
Das, A., Hand, T. H., Smith, C. L., Wickline, E., Zawrotny, M., and Li, H. (2020) The molecular basis for recognition of 5'-NNNCC-3' PAM and its methylation state by Acidothermus cellulolyticus Cas9. Nat Commun. 11, 6346
Pinch, B. J., Doctor, Z. M., Nabet, B., Browne, C. M., Seo, H. - S., Mohardt, M. L., Kozono, S., Lian, X., Manz, T. D., Chun, Y., Kibe, S., Zaidman, D., Daitchman, D., Yeoh, Z. C., Vangos, N. E., Geffken, E. A., Tan, L., Ficarro, S. B., London, N., Marto, J. A., Buratowski, S., Dhe-Paganon, S., Zhou, X. Zhen, Lu, K. Ping, and Gray, N. S. (2020) Identification of a potent and selective covalent Pin1 inhibitor. Nat Chem Biol. 16, 979-987
Lu, J., Cao, Q., Hughes, M. P., Sawaya, M. R., Boyer, D. R., Cascio, D., and Eisenberg, D. S. (2020) CryoEM structure of the low-complexity domain of hnRNPA2 and its conversion to pathogenic amyloid. Nat Commun. 11, 4090
Sever, N., Miličić, G., Bodnar, N. O., Wu, X., and Rapoport, T. A. (2020) Mechanism of Lamellar Body Formation by Lung Surfactant Protein B. Mol Cell. 10.1016/j.molcel.2020.10.042
Clark, S. A., Clark, L. E., Pan, J., Coscia, A., McKay, L. G. A., Shankar, S., Johnson, R. I., Griffiths, A., and Abraham, J. (2020) Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2. bioRxiv. 10.1101/2020.11.13.381533
Osko, J. D., Porter, N. J., Decroos, C., Lee, M. S., Watson, P. R., Raible, S. E., Krantz, I. D., Deardorff, M. A., and Christianson, D. W. (2020) Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders. J Struct Biol. 213, 107681
Mawla, G. D., Hall, B. M., Cárcamo-Oyarce, G., Grant, R. A., Zhang, J. Jia, Kardon, J. R., Ribbeck, K., Sauer, R. T., and Baker, T. A. (2020) ClpP1P2 peptidase activity promotes biofilm formation in P. aeruginosa. Mol Microbiol. 10.1111/mmi.14649
He, H., Bian, G., Herbst-Gervasoni, C. J., Mori, T., Shinsky, S. A., Hou, A., Mu, X., Huang, M., Cheng, S., Deng, Z., Christianson, D. W., Abe, I., and Liu, T. (2020) Discovery of the cryptic function of terpene cyclases as aromatic prenyltransferases. Nat Commun. 11, 3958
Schaefer, K., Owens, T. W., Page, J. E., Santiago, M., Kahne, D., and Walker, S. (2020) Structure and reconstitution of a hydrolase complex that may release peptidoglycan from the membrane after polymerization. Nat Microbiol. 10.1038/s41564-020-00808-5
Lite, T. - L. V., Grant, R. A., Nocedal, I., Littlehale, M. L., Guo, M. S., and Laub, M. T. (2020) Uncovering the basis of protein-protein interaction specificity with a combinatorially complete library. Elife. 10.7554/eLife.60924
Lin, L. Yingqi, McCarthy, S., Powell, B. M., Manurung, Y., Xiang, I. M., Dean, W. L., Chaires, B., and Yatsunyk, L. A. (2020) Biophysical and X-ray structural studies of the (GGGTT)3GGG G-quadruplex in complex with N-methyl mesoporphyrin IX. PLoS One. 15, e0241513
Christensen, E. M., Bogner, A. N., Vandekeere, A., Tam, G. S., Patel, S. M., Becker, D. F., Fendt, S. - M., and Tanner, J. J. (2020) Screening for Proline Analog Inhibitors of the Proline Cycle Enzyme PYCR1. J Biol Chem. 10.1074/jbc.RA120.016106
Hamilton, K., and Tong, L. (2020) Molecular mechanism for the interaction between human CPSF30 and hFip1. Genes Dev. 10.1101/gad.343814.120
Schuhmacher, M. Kirstin, Beldar, S., Khella, M. S., Bröhm, A., Ludwig, J., Tempel, W., Weirich, S., Min, J., and Jeltsch, A. (2020) Sequence specificity analysis of the SETD2 protein lysine methyltransferase and discovery of a SETD2 super-substrate. Commun Biol. 3, 511
Liu, S., Li, S., Shen, G., Sukumar, N., Krezel, A. M., and Li, W. (2020) Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation. Science. 10.1126/science.abc5667
Bertoletti, N., Chan, A. H., Schinazi, R. F., and Anderson, K. S. (2020) Post-Catalytic Complexes with Emtricitabine or Stavudine and HIV-1 Reverse Transcriptase Reveal New Mechanistic Insights for Nucleotide Incorporation and Drug Resistance. Molecules. 10.3390/molecules25204868

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