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TitleProbing Multidrug-Resistance and Protein-Ligand Interactions with Oxatricyclic Designed Ligands in HIV-1 Protease Inhibitors.
Journal, issue, pagesChemmedchem, Vol. 5, Page 1850-1854, Year 2010
Publish dateAug 24, 2010 (structure data deposition date)
AuthorsGhosh, A.K. / Xu, C.X. / Rao, K.V. / Baldridge, A. / Agniswamy, J. / Wang, Y.F. / Weber, I.T. / Aoki, M. / Miguel, S.G. / Amano, M. / Mitsuya, H.
External linksChemmedchem / PubMed:20827746
MethodsX-ray diffraction
Resolution1.27 Å
Structure data

PDB-3ok9:
Crystal structure of wild-type HIV-1 protease with new oxatricyclic designed inhibitor GRL-0519A
Method: X-RAY DIFFRACTION / Resolution: 1.27 Å

Chemicals

ChemComp-G52:
(3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]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-0519A / oxatricyclic ligands / multidrug-resistant HIV strains / wild-type HIV-1 protease / HYDROLASE-HYDROLASE INHIBITOR complex

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