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Structure paper

TitleNovel HIV PR inhibitors with C4-substituted bis-THF and bis-fluoro-benzyl target the two active site mutations of highly drug resistant mutant PR S17 .
Journal, issue, pagesBiochem. Biophys. Res. Commun., Vol. 566, Page 30-35, Year 2021
Publish dateMay 21, 2021 (structure data deposition date)
AuthorsAgniswamy, J. / Kneller, D.W. / Ghosh, A.K. / Weber, I.T.
External linksBiochem. Biophys. Res. Commun. / PubMed:34111669
MethodsX-ray diffraction
Resolution1.5 - 1.65 Å
Structure data

PDB-7myp:
Crystal Structure of HIV-1 PRS17 with GRL-44-10A
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-7myy:
Crystal Structure of HIV-1 PRS17 with GRL-142
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-CL:
Unknown entry

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-HOH:
WATER

ChemComp-7OA:
(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE/Inhibitor / HIV-1 Protease / Multi drug resistant / HYDROLASE-Inhibitor complex / Hydrolase inhibitor complex / HYDROLASE

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