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-Structure paper
Title | Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity. |
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Journal, issue, pages | J. Am. Chem. Soc., Vol. 143, Page 20697-20709, Year 2021 |
Publish date | Dec 3, 2020 (structure data deposition date) |
Authors | Ma, C. / Xia, Z. / Sacco, M.D. / Hu, Y. / Townsend, J.A. / Meng, X. / Choza, J. / Tan, H. / Jang, J. / Gongora, M.V. ...Ma, C. / Xia, Z. / Sacco, M.D. / Hu, Y. / Townsend, J.A. / Meng, X. / Choza, J. / Tan, H. / Jang, J. / Gongora, M.V. / Zhang, X. / Zhang, F. / Xiang, Y. / Marty, M.T. / Chen, Y. / Wang, J. |
External links | J. Am. Chem. Soc. / PubMed:34860011 |
Methods | X-ray diffraction |
Resolution | 2.25 - 2.6 Å |
Structure data | PDB-7kx5: PDB-7rn0: PDB-7rn1: |
Chemicals | ChemComp-X7V: ChemComp-GOL: ChemComp-HOH: ChemComp-5ZB: ChemComp-SO4: ChemComp-5ZF: |
Source |
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Keywords | VIRAL PROTEIN / Mpro / 76-3A / noncovalent / inhibitor / non-covalent / main protease / 3cl / SARS / SARS-CoV-2 / COVID / COVID-19 / 3c-like / HYDROLASE/HYDROLASE INHIBITOR / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR complex |