Publications

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Journal Article
Cui, H., Divakaran, A., Hoell, Z. J., Ellingson, M. O., Scholtz, C. R., Zahid, H., Johnson, J. A., Griffith, E. C., Gee, C. T., Lee, A. L., Khanal, S., Shi, K., Aihara, H., Shah, V. H., Lee, R. E., Harki, D. A., and Pomerantz, W. C. K. (2022) A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes. J Med Chem. 10.1021/acs.jmedchem.1c01779
Lanier, M., Pickens, J., Bigi, S. V., Bradshaw-Pierce, E. L., Chambers, A., Cheruvallath, Z. S., Cole, D., Dougan, D. R., Ermolieff, J., Gibson, T., Halkowycz, P., Hirokawa, A., Ivetac, A., Miura, J., Nunez, E., Sabat, M., Tyhonas, J., Wang, H., Wang, X., and Swann, S. (2017) Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure. ACS Med Chem Lett. 8, 316-320
Hu, D. X., Patel, S., Chen, H., Wang, S., Staben, S. T., Dimitrova, Y. N., Wallweber, H. Ackerly, Lee, J. Y., Chan, G. Ka Yan, Sneeringer, C. J., Prangley, M. S., Moffat, J. G., Wu, K. C., Schutt, L. K., Salphati, L., Pang, J., McNamara, E., Huang, H., Chen, Y., Wang, Y., Zhao, W., Lim, J., Murthy, A., and Siu, M. (2021) Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors. J Med Chem. 10.1021/acs.jmedchem.1c01180
Martin, S. E. S., Tan, Z. - W., Itkonen, H. M., Duveau, D. Y., Paulo, J. A., Janetzko, J., Boutz, P. L., Törk, L., Moss, F. A., Thomas, C. J., Gygi, S. P., Lazarus, M. B., and Walker, S. (2018) Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors. J Am Chem Soc. 10.1021/jacs.8b07328
Seidler, P. Matthew, Boyer, D. R., Murray, K. A., Yang, T. P., Bentzel, M., Sawaya, M. R., Rosenberg, G., Cascio, D., Williams, C. Kazu, Newell, K. L., Ghetti, B., DeTure, M. A., Dickson, D. W., Vinters, H. V., and Eisenberg, D. S. (2019) Structure-based inhibitors halt prion-like seeding by Alzheimer's disease-and tauopathy-derived brain tissue samples. J Biol Chem. 294, 16451-16464
Seidler, P. Matthew, Boyer, D. R., Murray, K. A., Yang, T. P., Bentzel, M., Sawaya, M. R., Rosenberg, G., Cascio, D., Williams, C. Kazu, Newell, K. L., Ghetti, B., DeTure, M. A., Dickson, D. W., Vinters, H. V., and Eisenberg, D. S. (2019) Structure-based inhibitors halt prion-like seeding by Alzheimer's disease-and tauopathy-derived brain tissue samples. J Biol Chem. 294, 16451-16464
Gao, P., Ascano, M., Zillinger, T., Wang, W., Dai, P., Serganov, A. A., Gaffney, B. L., Shuman, S., Jones, R. A., Deng, L., Hartmann, G., Barchet, W., Tuschl, T., and Patel, D. J. (2013) Structure-function analysis of STING activation by c[G(2',5')pA(3',5')p] and targeting by antiviral DMXAA. Cell. 154, 748-62
Gao, P., Ascano, M., Zillinger, T., Wang, W., Dai, P., Serganov, A. A., Gaffney, B. L., Shuman, S., Jones, R. A., Deng, L., Hartmann, G., Barchet, W., Tuschl, T., and Patel, D. J. (2013) Structure-function analysis of STING activation by c[G(2',5')pA(3',5')p] and targeting by antiviral DMXAA. Cell. 154, 748-62
Mieher, J. L., Schormann, N., Wu, R., Patel, M., Purushotham, S., Wu, H., Scoffield, J., and Deivanayagam, C. (2021) Structure-Function Characterization of Streptococcus intermedius Surface Antigen Pas. J Bacteriol. 203, e0017521
Jia, N., Xie, W., M de la Cruz, J., Eng, E. T., and Patel, D. J. (2020) Structure-function insights into the initial step of DNA integration by a CRISPR-Cas-Transposon complex. Cell Res. 10.1038/s41422-019-0272-2
Deshmukh, M. G., Ippolito, J. A., Zhang, C. - H., Stone, E. A., Reilly, R. A., Miller, S. J., Jorgensen, W. L., and Anderson, K. S. (2021) Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease. Structure. 10.1016/j.str.2021.06.002
Lamberto, I., Liu, X., Seo, H. - S., Schauer, N. J., Iacob, R. E., Hu, W., Das, D., Mikhailova, T., Weisberg, E. L., Engen, J. R., Anderson, K. C., Chauhan, D., Dhe-Paganon, S., and Buhrlage, S. J. (2017) Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7. Cell Chem Biol. 10.1016/j.chembiol.2017.09.003
Lamberto, I., Liu, X., Seo, H. - S., Schauer, N. J., Iacob, R. E., Hu, W., Das, D., Mikhailova, T., Weisberg, E. L., Engen, J. R., Anderson, K. C., Chauhan, D., Dhe-Paganon, S., and Buhrlage, S. J. (2017) Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7. Cell Chem Biol. 10.1016/j.chembiol.2017.09.003
Orman, M., Bodea, S., Funk, M. A., Del Campo, A. Martínez-, Bollenbach, M., Drennan, C. L., and Balskus, E. P. (2018) Structure-Guided Identification of a Small Molecule That Inhibits Anaerobic Choline Metabolism by Human Gut Bacteria. J Am Chem Soc. 10.1021/jacs.8b04883
Orman, M., Bodea, S., Funk, M. A., Del Campo, A. Martínez-, Bollenbach, M., Drennan, C. L., and Balskus, E. P. (2018) Structure-Guided Identification of a Small Molecule That Inhibits Anaerobic Choline Metabolism by Human Gut Bacteria. J Am Chem Soc. 10.1021/jacs.8b04883
Su, C. - C., Yin, L., Kumar, N., Dai, L., Radhakrishnan, A., Bolla, J. Reddy, Lei, H. - T., Chou, T. - H., Delmar, J. A., Rajashankar, K. R., Zhang, Q., Shin, Y. - K., and Yu, E. W. (2017) Structures and transport dynamics of a Campylobacter jejuni multidrug efflux pump. Nat Commun. 8, 171
Su, C. - C., Yin, L., Kumar, N., Dai, L., Radhakrishnan, A., Bolla, J. Reddy, Lei, H. - T., Chou, T. - H., Delmar, J. A., Rajashankar, K. R., Zhang, Q., Shin, Y. - K., and Yu, E. W. (2017) Structures and transport dynamics of a Campylobacter jejuni multidrug efflux pump. Nat Commun. 8, 171
Petrou, V. I., Herrera, C. M., Schultz, K. M., Clarke, O. B., Vendome, J., Tomasek, D., Banerjee, S., Rajashankar, K. R., Dufrisne, M. Belcher, Kloss, B., Kloppmann, E., Rost, B., Klug, C. S., M Trent, S., Shapiro, L., and Mancia, F. (2016) Structures of aminoarabinose transferase ArnT suggest a molecular basis for lipid A glycosylation. Science. 351, 608-12
Funk, M. A., Judd, E. T., E Marsh, N. G., Elliott, S. J., and Drennan, C. L. (2014) Structures of benzylsuccinate synthase elucidate roles of accessory subunits in glycyl radical enzyme activation and activity. Proc Natl Acad Sci U S A. 111, 10161-6
Huo, Y., Nam, K. Hyun, Ding, F., Lee, H., Wu, L., Xiao, Y., M Farchione, D., Zhou, S., Rajashankar, K., Kurinov, I., Zhang, R., and Ke, A. (2014) Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation. Nat Struct Mol Biol. 21, 771-7
Xu, H., Faber, C., Uchiki, T., Racca, J., and Dealwis, C. (2006) Structures of eukaryotic ribonucleotide reductase I define gemcitabine diphosphate binding and subunit assembly. Proc Natl Acad Sci U S A. 103, 4028-33
Dong, G., Hutagalung, A. H., Fu, C., Novick, P., and Reinisch, K. M. (2005) The structures of exocyst subunit Exo70p and the Exo84p C-terminal domains reveal a common motif. Nat Struct Mol Biol. 12, 1094-100
Dowling, D. P., Gattis, S. G., Fierke, C. A., and Christianson, D. W. (2010) Structures of metal-substituted human histone deacetylase 8 provide mechanistic inferences on biological function . Biochemistry. 49, 5048-56
Hlinkova, V., Xing, G., Bauer, J., Shin, Y. Jung, Dionne, I., Rajashankar, K. R., Bell, S. D., and Ling, H. (2008) Structures of monomeric, dimeric and trimeric PCNA: PCNA-ring assembly and opening. Acta Crystallogr D Biol Crystallogr. 64, 941-9
Dharmaiah, S., Tran, T. H., Messing, S., Agamasu, C., Gillette, W. K., Yan, W., Waybright, T., Alexander, P., Esposito, D., Nissley, D. V., McCormick, F., Stephen, A. G., and Simanshu, D. K. (2019) Structures of N-terminally processed KRAS provide insight into the role of N-acetylation. Sci Rep. 9, 10512

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