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Structure paper

TitleDeciphering the Molecular Mechanism and Role of Fluorination in HCV Protease Inhibitor Potency and Drug Resistance
Journal, issue, pagesTo Be Published
Publish dateApr 29, 2021 (structure data deposition date)
AuthorsZephyr, J. / Nageswara Rao, D.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.56 Å
Structure data

PDB-7mme:
Crystal structure of HCV NS3/4A D168A protease in complex with JZ01-15
Method: X-RAY DIFFRACTION / Resolution: 1.56 Å

Chemicals

ChemComp-9H4:
tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate

ChemComp-ZN:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • hepacivirus c
KeywordsHYDROLASE/INHIBITOR / NS3/4a Protease / Hepatitis C virus / Drug Resistance / Protease inhibitor / HYDROLASE-HYDROLASE Inhibitor complex / HYDROLASE / HYDROLASE-INHIBITOR complex / VIRAL PROTEIN

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