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-Structure paper
Title | High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor. |
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Journal, issue, pages | J. Chem. Inf. Model., Vol. 62, Page 116-128, Year 2022 |
Publish date | Feb 19, 2021 (structure data deposition date) |
![]() | Clyde, A. / Galanie, S. / Kneller, D.W. / Ma, H. / Babuji, Y. / Blaiszik, B. / Brace, A. / Brettin, T. / Chard, K. / Chard, R. ...Clyde, A. / Galanie, S. / Kneller, D.W. / Ma, H. / Babuji, Y. / Blaiszik, B. / Brace, A. / Brettin, T. / Chard, K. / Chard, R. / Coates, L. / Foster, I. / Hauner, D. / Kertesz, V. / Kumar, N. / Lee, H. / Li, Z. / Merzky, A. / Schmidt, J.G. / Tan, L. / Titov, M. / Trifan, A. / Turilli, M. / Van Dam, H. / Chennubhotla, S.C. / Jha, S. / Kovalevsky, A. / Ramanathan, A. / Head, M.S. / Stevens, R. |
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Methods | X-ray diffraction |
Resolution | 1.8 Å |
Structure data | ![]() PDB-7ltj: |
Chemicals | ![]() ChemComp-YD1: ![]() ChemComp-HOH: |
Source |
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![]() | HYDROLASE/HYDROLASE INHIBITOR / cysteine protease / viral protease / SARS-CoV-2 / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR complex |