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TitleAnti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients.
Journal, issue, pagesActa Pharmacol. Sin., Vol. 41, Page 1167-1177, Year 2020
Publish dateFeb 28, 2020 (structure data deposition date)
AuthorsSu, H.X. / Yao, S. / Zhao, W.F. / Li, M.J. / Liu, J. / Shang, W.J. / Xie, H. / Ke, C.Q. / Hu, H.C. / Gao, M.N. ...Su, H.X. / Yao, S. / Zhao, W.F. / Li, M.J. / Liu, J. / Shang, W.J. / Xie, H. / Ke, C.Q. / Hu, H.C. / Gao, M.N. / Yu, K.Q. / Liu, H. / Shen, J.S. / Tang, W. / Zhang, L.K. / Xiao, G.F. / Ni, L. / Wang, D.W. / Zuo, J.P. / Jiang, H.L. / Bai, F. / Wu, Y. / Ye, Y. / Xu, Y.C.
External linksActa Pharmacol. Sin. / PubMed:32737471
MethodsX-ray diffraction
Resolution1.7 - 2.198 Å
Structure data

PDB-6m2n:
SARS-CoV-2 3CL protease (3CL pro) in complex with a novel inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.198 Å

PDB-6m2q:
SARS-CoV-2 3CL protease (3CL pro) apo structure (space group C21)
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-3WL:
5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one

ChemComp-HOH:
WATER

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsVIRAL PROTEIN / SARS-CoV-2 / 3CL pro

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