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Structure paper

TitleBoceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease.
Journal, issue, pagesCell Res., Vol. 30, Page 678-692, Year 2020
Publish dateMay 3, 2020 (structure data deposition date)
AuthorsMa, C. / Sacco, M.D. / Hurst, B. / Townsend, J.A. / Hu, Y. / Szeto, T. / Zhang, X. / Tarbet, B. / Marty, M.T. / Chen, Y. / Wang, J.
External linksCell Res. / PubMed:32541865
MethodsX-ray diffraction
Resolution2.15 Å
Structure data

PDB-6wtt:
Crystals Structure of the SARS-CoV-2 (COVID-19) main protease with inhibitor GC-376
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

Chemicals

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-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-GOL:
GLYCEROL

ChemComp-CL:
Unknown entry

ChemComp-MG:
Unknown entry

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

ChemComp-HOH:
WATER

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsVIRAL PROTEIN / COVID COVID19 COVID-19 SARS SARS COV2 COV NCOV 19 CORONAVIRUS MAIN PROTEASE 3CL MPRO PRO / GC376 / GC-376 / PEPTIDOMIMETIC / PROTEASE / CYSTEINE

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