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TitleDesign of substituted bis-Tetrahydrofuran (bis-THF)-derived Potent HIV-1 Protease Inhibitors, Protein-ligand X-ray Structure, and Convenient Syntheses of bis-THF and Substituted bis-THF Ligands.
Journal, issue, pagesACS Med Chem Lett, Vol. 2, Page 298-302, Year 2011
Publish dateJan 10, 2011 (structure data deposition date)
AuthorsGhosh, A.K. / Martyr, C.D. / Steffey, M. / Wang, Y.F. / Agniswamy, J. / Amano, M. / Weber, I.T. / Mitsuya, H.
External linksPubMed:22509432
MethodsX-ray diffraction
Resolution1.4 Å
Structure data

PDB-3qaa:
HIV-1 wild type protease with a substituted bis-Tetrahydrofuran inhibitor, GRL-044-10A
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

Chemicals

ChemComp-G04:
(3R,3aS,4R,6aR)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate

ChemComp-NA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE/HYDROLASE INHIBITOR / aspartic acid protease / HIV-1 protease inhibitor GRL-044-10A / substituted bis-tetrahydrofuran inhibitor / wild-type HIV-1 protease / HYDROLASE-HYDROLASE INHIBITOR complex

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