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TitleLigand bioactive conformation plays a critical role in the design of drugs that target the hepatitis C virus NS3 protease.
Journal, issue, pagesJ. Med. Chem., Vol. 57, Page 1777-1789, Year 2014
Publish dateApr 18, 2013 (structure data deposition date)
AuthorsLaplante, S.R. / Nar, H. / Lemke, C.T. / Jakalian, A. / Aubry, N. / Kawai, S.H.
External linksJ. Med. Chem. / PubMed:24144444
MethodsX-ray diffraction
Resolution2.8 Å
Structure data

PDB-4k8b:
Crystal structure of HCV NS3/4A protease complexed with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-1RR:
N-(tert-butylcarbamoyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • hepatitis c virus
KeywordsHYDROLASE/HYDROLASE INHIBITOR / protease / HYDROLASE-HYDROLASE INHIBITOR complex

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