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Structure paper

TitleStructure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 16, Page 5888-5891, Year 2006
Publish dateAug 1, 2006 (structure data deposition date)
AuthorsYan, S. / Appleby, T. / Larson, G. / Wu, J.Z. / Hamatake, R. / Hong, Z. / Yao, N.
External linksBioorg. Med. Chem. Lett. / PubMed:16934455
MethodsX-ray diffraction
Resolution2 - 2.3 Å
Structure data

PDB-2hwh:
HCV NS5B allosteric inhibitor complex
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-2hwi:
HCV NS5B allosteric inhibitor complex
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-RNA:
4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE

ChemComp-HOH:
WATER

ChemComp-VRX:
(2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)(4-FLUOROPHENYL)ACETIC ACID

Source
  • hepatitis c virus
KeywordsTRANSFERASE / HCV / NS5B / Viral RNA-directed RNA Polymerase / RdRP / allosteric inhibitor / HCV inhibitor complex

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