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TitleThe Design and Enzyme-Bound Crystal Structure of Indoline Based Peptidomimetic Inhibitors of Hepatitis C Virus Ns3 Protease
Journal, issue, pagesJ. Med. Chem., Vol. 47, Page 6443-, Year 2004
Publish dateJul 14, 2004 (structure data deposition date)
AuthorsOntoria, J.M. / Di Marco, S. / Conte, I. / Di Francesco, M.E. / Gardelli, C. / Koch, U. / Matassa, V.G. / Poma, M. / Steinkuhler, C. / Volpari, C. / Harper, S.
External linksJ. Med. Chem. / PubMed:15588076
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-1w3c:
Crystal structure of the Hepatitis C Virus NS3 Protease in complex with a peptidomimetic inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-DN1:
3-({(2S)-2-[({(1R)-1-[({(1R)-1-[(R)-CARBOXY(HYDROXY)METHYL]-3,3-DIFLUOROPROPYL}AMINO)CARBONYL]-3-METHYLBUTYL}AMINO)CARB

ChemComp-DN2:
3-({(2S)-2-[({(1S)-1-[({(1S)-1-[(R)-CARBOXY(HYDROXY)METHYL]-3,3-DIFLUOROPROPYL}AMINO)CARBONYL]-3-METHYLBUTYL}AMINO)CARBONYL]-2,3-DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-2-CARBOXYLIC ACID

ChemComp-HOH:
WATER

Source
  • hepatitis c virus (isolate 1)
KeywordsHYDROLASE / SERINE PROTEASE / HCV / INDOLINE-BASED PEPTIDOMIMETIC INHIBITOR

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