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Structure paper

TitleStructural studies of antiviral inhibitor with HIV-1 protease bearing drug resistant substitutions of V32I, I47V and V82I.
Journal, issue, pagesBiochem. Biophys. Res. Commun., Vol. 514, Page 974-978, Year 2019
Publish dateMay 3, 2019 (structure data deposition date)
AuthorsPawar, S. / Wang, Y.F. / Wong-Sam, A. / Agniswamy, J. / Ghosh, A.K. / Harrison, R.W. / Weber, I.T.
External linksBiochem. Biophys. Res. Commun. / PubMed:31092330
MethodsX-ray diffraction
Resolution1.5 Å
Structure data

PDB-6otg:
HIV-1 protease triple mutants V32I, I47V, V82I with GRL-011-11A (a methylamine bis-Tetrahydrofuran P2-Ligand, sulfonamide isostere derivate)
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-FMT:
FORMIC ACID

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

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE/HYDROLASE inhibitor / HIV-1 protease; antiviral inhibitors; drug resistance; X-ray crystallography / HYDROLASE-HYDROLASE inhibitor complex

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