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Structure paper

TitleDevelopment of novel inhibitors against SARS-CoV-2 3CLpro
Journal, issue, pagesTo Be Published
Publish dateSep 8, 2022 (structure data deposition date)
AuthorsXu, Y.C. / Zang, Y. / Zhou, Y.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.8 - 1.85 Å
Structure data

PDB-8gtv:
SARS-CoV-2 3CL protease (3CLpro) in complex with compound JZD-07
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-8gtw:
SARS-CoV-2 3CL protease (3CLpro) in complex with compound JZD-26
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

Chemicals

ChemComp-KAE:
4-[(2~{S})-4-(3,4-dichlorophenyl)-2-(morpholin-4-ylmethyl)piperazin-1-yl]carbonyl-1~{H}-quinolin-2-one

ChemComp-HOH:
WATER

ChemComp-K9U:
(2S)-4-(3,4-dichlorophenyl)-1-[(2-oxidanylidene-1H-quinolin-4-yl)carbonyl]-N-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide

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

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