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TitleDesign, Synthesis, Biological Evaluation, and X-ray Studies of HIV-1 Protease Inhibitors with Modified P2' Ligands of Darunavir.
Journal, issue, pagesChemMedChem, Vol. 12, Page 1942-1952, Year 2017
Publish dateSep 27, 2017 (structure data deposition date)
AuthorsGhosh, A.K. / Fyvie, W.S. / Brindisi, M. / Steffey, M. / Agniswamy, J. / Wang, Y.F. / Aoki, M. / Amano, M. / Weber, I.T. / Mitsuya, H.
External linksChemMedChem / PubMed:29110408
MethodsX-ray diffraction
Resolution1.3 Å
Structure data

PDB-6b4n:
a hydroxymethyl functionality at the 4-position of the 2-phenyloxazole moiety of HIV-1 protease inhibitors involving the P2' ligands
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

Chemicals

ChemComp-G53:
methyl 2-{4-[{(2R,3S)-3-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}-1,3-oxazole-4-carboxylate

ChemComp-NA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE/HYDROLASE INHIBITOR / HIV protease / the 2-phenyloxazole moiety inhibitor / P2' ligands / Drug resistance / HYDROLASE / ANTIVIRAL PROTEIN / HYDROLASE-HYDROLASE INHIBITOR complex

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