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Structure paper

TitleStructural basis of SARS-CoV-2 main protease inhibition by a broad-spectrum anti-coronaviral drug.
Journal, issue, pagesAm J Cancer Res, Vol. 10, Page 2535-2545, Year 2020
Publish dateJun 9, 2020 (structure data deposition date)
AuthorsWang, Y.C. / Yang, W.H. / Yang, C.S. / Hou, M.H. / Tsai, C.L. / Chou, Y.Z. / Hung, M.C. / Chen, Y.
External linksPubMed:32905393
MethodsX-ray diffraction
Resolution1.69 - 2.85 Å
Structure data

PDB-7cam:
SARS-CoV-2 main protease (Mpro) apo structure (space group P212121)
Method: X-RAY DIFFRACTION / Resolution: 2.85 Å

PDB-7cb7:
1.7A resolution structure of SARS-CoV-2 main protease (Mpro) in complex with broad-spectrum coronavirus protease inhibitor GC376
Method: X-RAY DIFFRACTION / Resolution: 1.69 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-NA:
Unknown entry

ChemComp-K36:
(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid / medication, antivirus*YM

ChemComp-B1S:
(1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsVIRAL PROTEIN / main protease / 3CL protease / 3C-like proteinase / protein-inhibitor complex / GC376

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