Publications

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Ubah, O. C., Lake, E. W., Gunaratne, G. S., Gallant, J. P., Fernie, M., Robertson, A. J., Marchant, J. S., Bold, T. D., Langlois, R. A., Matchett, W. E., Thiede, J. M., Shi, K., Yin, L., Moeller, N. H., Banerjee, S., Ferguson, L., Kovaleva, M., Porter, A. J., Aihara, H., LeBeau, A. M., and Barelle, C. J. (2021) Mechanisms of SARS-CoV-2 neutralization by shark variable new antigen receptors elucidated through X-ray crystallography. Nat Commun. 12, 7325
Tompkins, K. J., Houtti, M., Litzau, L. A., Aird, E. J., Everett, B. A., Nelson, A. T., Pornschloegl, L., Limón-Swanson, L. K., Evans, R. L., Evans, K., Shi, K., Aihara, H., and Gordon, W. R. (2021) Molecular underpinnings of ssDNA specificity by Rep HUH-endonucleases and implications for HUH-tag multiplexing and engineering. Nucleic Acids Res. 49, 1046-1064
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Zahid, H., Buchholz, C. R., Singh, M., Ciccone, M. F., Chan, A., Nithianantham, S., Shi, K., Aihara, H., Fischer, M., Schönbrunn, E., Santos, C. O. Dos, Landry, J. W., and Pomerantz, W. C. K. (2021) New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J Med Chem. 64, 13902-13917
Ribeiro, C. J. A., Kankanala, J., Shi, K., Kurahashi, K., Kiselev, E., Ravji, A., Pommier, Y., Aihara, H., and Wang, Z. (2018) New fluorescence-based high-throughput screening assay for small molecule inhibitors of tyrosyl-DNA phosphodiesterase 2 (TDP2). Eur J Pharm Sci. 118, 67-79
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Shi, K., Pandey, K. K., Bera, S., Vora, A. C., Grandgenett, D. P., and Aihara, H. (2013) A possible role for the asymmetric C-terminal domain dimer of Rous sarcoma virus integrase in viral DNA binding. PLoS One. 8, e56892
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Pomerantz, W. Charles Kr, Cui, H., Divakaran, A., Pandey, A. K., Johnson, J. A., Zahid, H., Hoell, Z. J., Ellingson, M. O., Shi, K., Aihara, H., and Harki, D. A. (2020) Selective N-terminal BRD4 bromodomain inhibitors by targeting non-conserved residues and structured water displacement. Angew Chem Int Ed Engl. 10.1002/anie.202008625
Jones, J. C., Banerjee, R., Shi, K., Semonis, M. M., Aihara, H., Pomerantz, W. C. K., and Lipscomb, J. D. (2021) Soluble Methane Monooxygenase Component Interactions Monitored by F NMR. Biochemistry. 60, 1995-2010
Chen, L., Shi, K., Yin, Z., and Aihara, H. (2013) Structural asymmetry in the Thermus thermophilus RuvC dimer suggests a basis for sequential strand cleavages during Holliday junction resolution. Nucleic Acids Res. 41, 648-56
Zhang, W., Shi, K., Hsueh, F. - C., Mendoza, A., Ye, G., Huang, L., Perlman, S., Aihara, H., and Li, F. (2024) Structural basis for mouse receptor recognition by bat SARS2-like coronaviruses. Proc Natl Acad Sci U S A. 121, e2322600121
Shi, K., Kurahashi, K., Gao, R., Tsutakawa, S. E., Tainer, J. A., Pommier, Y., and Aihara, H. (2012) Structural basis for recognition of 5'-phosphotyrosine adducts by Tdp2. Nat Struct Mol Biol. 19, 1372-7
Shi, K., Moeller, N. H., Banerjee, S., McCann, J. L., Carpenter, M. A., Yin, L., Moorthy, R., Orellana, K., Harki, D. A., Harris, R. S., and Aihara, H. (2021) Structural basis for recognition of distinct deaminated DNA lesions by endonuclease Q. Proc Natl Acad Sci U S A. 10.1073/pnas.2021120118
Shi, K., Carpenter, M. A., Banerjee, S., Shaban, N. M., Kurahashi, K., Salamango, D. J., McCann, J. L., Starrett, G. J., Duffy, J. V., Demir, Ö., Amaro, R. E., Harki, D. A., Harris, R. S., and Aihara, H. (2017) Structural basis for targeted DNA cytosine deamination and mutagenesis by APOBEC3A and APOBEC3B. Nat Struct Mol Biol. 24, 131-139
Shi, K., Bagchi, S., Bickel, J., Esfahani, S. H., Yin, L., Cheng, T., Karamyan, V. T., and Aihara, H. (2024) Structural basis of divergent substrate recognition and inhibition of human neurolysin. Sci Rep. 14, 18420
Shang, J., Ye, G., Shi, K., Wan, Y., Luo, C., Aihara, H., Geng, Q., Auerbach, A., and Li, F. (2020) Structural basis of receptor recognition by SARS-CoV-2. Nature. 10.1038/s41586-020-2179-y
Yin, L., Shi, K., and Aihara, H. (2023) Structural basis of sequence-specific cytosine deamination by double-stranded DNA deaminase toxin DddA. Nat Struct Mol Biol. 10.1038/s41594-023-01034-3
Shi, K., Oakland, J. T., Kurniawan, F., Moeller, N. H., Banerjee, S., and Aihara, H. (2020) Structural basis of superinfection exclusion by bacteriophage T4 Spackle. Commun Biol. 3, 691
Tang, H., Demir, Ö., Kurniawan, F., Brown, W. L., Shi, K., Moeller, N. H., Carpenter, M. A., Belica, C., Orellana, K., Du, G., LeBeau, A. M., Amaro, R. E., Harris, R. S., and Aihara, H. (2021) Structural Characterization of a Minimal Antibody against Human APOBEC3B. Viruses. 10.3390/v13040663
Zhang, W., Shi, K., Geng, Q., Herbst, M., Wang, M., Huang, L., Bu, F., Liu, B., Aihara, H., and Li, F. (2023) Structural evolution of SARS-CoV-2 omicron in human receptor recognition. J Virol. 97, e0082223
Li, N., Shi, K., Rao, T., Banerjee, S., and Aihara, H. (2020) Structural insights into the promiscuous DNA binding and broad substrate selectivity of fowlpox virus resolvase. Sci Rep. 10, 393
Jones, J. Christophe, Banerjee, R., Shi, K., Aihara, H., and Lipscomb, J. D. (2020) Structural Studies of OB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex Reveal a Transient Substrate Tunnel. Biochemistry. 10.1021/acs.biochem.0c00459
Moeller, N. H., Shi, K., Demir, Ö., Banerjee, S., Yin, L., Belica, C., Durfee, C., Amaro, R. E., and Aihara, H. (2021) Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN. bioRxiv. 10.1101/2021.04.02.438274
Moeller, N. H., Shi, K., Demir, Ö., Belica, C., Banerjee, S., Yin, L., Durfee, C., Amaro, R. E., and Aihara, H. (2022) Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN. Proc Natl Acad Sci U S A. 10.1073/pnas.2106379119
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
Xing, Q., Shi, K., Portaliou, A., Rossi, P., Economou, A., and Kalodimos, C. G. (2018) Structures of chaperone-substrate complexes docked onto the export gate in a type III secretion system. Nat Commun. 9, 1773
Chen, X., Randles, L., Shi, K., Tarasov, S. G., Aihara, H., and Walters, K. J. (2016) Structures of Rpn1 T1:Rad23 and hRpn13:hPLIC2 Reveal Distinct Binding Mechanisms between Substrate Receptors and Shuttle Factors of the Proteasome. Structure. 24, 1257-70

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