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TitleEnantiomeric Atropisomers Inhibit HCV Polymerase and/or HIV Matrix: Characterizing Hindered Bond Rotations and Target Selectivity.
Journal, issue, pagesJ. Med. Chem., Vol. 57, Page 1944-1951, Year 2014
Publish dateMar 14, 2013 (structure data deposition date)
AuthorsLaplante, S.R. / Forgione, P. / Boucher, C. / Coulombe, R. / Gillard, J. / Hucke, O. / Jakalian, A. / Joly, M.A. / Kukolj, G. / Lemke, C. ...Laplante, S.R. / Forgione, P. / Boucher, C. / Coulombe, R. / Gillard, J. / Hucke, O. / Jakalian, A. / Joly, M.A. / Kukolj, G. / Lemke, C. / McCollum, R. / Titolo, S. / Beaulieu, P.L. / Stammers, T.
External linksJ. Med. Chem. / PubMed:24024973
MethodsX-ray diffraction
Resolution2 - 2.4 Å
Structure data

PDB-4jmu:
Crystal structure of HIV matrix residues 1-111 in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-4jvq:
Crystal structure of hcv ns5b polymerase in complex with compound 9
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-1ML:
5-{4-[(4-methoxybenzoyl)amino]phenoxy}-2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}benzoic acid

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

ChemComp-MG:
Unknown entry

Source
  • human immunodeficiency virus type 1 (new york-5 isolate)
  • hepatitis c virus
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Structural protein matrix / HYDROLASE-HYDROLASE INHIBITOR complex / RNA-DIRECTED RNA POLYMERASE / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR complex

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