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TitleDiscovery and Mechanism Study of SARS-CoV-2 3C-like Protease Inhibitors with a New Reactive Group.
Journal, issue, pagesJ. Med. Chem., Vol. 66, Page 12266-12283, Year 2023
Publish dateDec 21, 2022 (structure data deposition date)
AuthorsRen, P. / Li, H. / Nie, T. / Jian, X. / Yu, C. / Li, J. / Su, H. / Zhang, X. / Li, S. / Yang, X. ...Ren, P. / Li, H. / Nie, T. / Jian, X. / Yu, C. / Li, J. / Su, H. / Zhang, X. / Li, S. / Yang, X. / Peng, C. / Yin, Y. / Zhang, L. / Xu, Y. / Liu, H. / Bai, F.
External linksJ. Med. Chem. / PubMed:37594952
MethodsX-ray diffraction
Resolution2.04 Å
Structure data

PDB-8htv:
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3a
Method: X-RAY DIFFRACTION / Resolution: 2.04 Å

Chemicals

ChemComp-UZF:
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone

ChemComp-HOH:
WATER

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsVIRAL PROTEIN/INHIBITOR / Mpro / VIRAL PROTEIN-inhibitor complex

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