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-Structure paper
Title | In silico screening-based discovery of novel covalent inhibitors of the SARS-CoV-2 3CL protease. |
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Journal, issue, pages | Eur. J. Med. Chem., Vol. 231, Page 114130-114130, Year 2022 |
Publish date | Nov 8, 2021 (structure data deposition date) |
Authors | Xiong, M. / Nie, T. / Shao, Q. / Li, M. / Su, H. / Xu, Y. |
External links | Eur. J. Med. Chem. / PubMed:35114541 |
Methods | X-ray diffraction |
Resolution | 2.51 Å |
Structure data | PDB-7vvt: |
Chemicals | ChemComp-80X: ChemComp-HOH: |
Source |
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Keywords | VIRAL INHIBITOR/COMPLEX / Main protease / covalent inhibitor / VIRAL PROTEIN-INHIBITOR COMPLEX / VIRAL INHIBITOR-COMPLEX complex |