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TitleDiscovery of HIV-1 Protease Inhibitors with Picomolar Affinities Incorporating N-Aryl-oxazolidinone-5-carboxamides as Novel P2 Ligands.
Journal, issue, pagesJ. Med. Chem., Vol. 49, Page 7342-7356, Year 2006
Publish dateAug 10, 2006 (structure data deposition date)
AuthorsAli, A. / Reddy, G.S. / Cao, H. / Anjum, S.G. / Nalam, M.N. / Schiffer, C.A. / Rana, T.M.
External linksJ. Med. Chem. / PubMed:17149864
MethodsX-ray diffraction
Resolution1.8 - 1.95 Å
Structure data

PDB-2i0a:
Crystal Structure of KB-19 complexed with wild type HIV-1 protease
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-2i0d:
Crystal structure of AD-81 complexed with wild type HIV-1 protease
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-MUI:
(5S)-3-(4-ACETYLPHENYL)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-MUT:
(5S)-3-(3-ACETYLPHENYL)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE

ChemComp-ACT:
ACETATE ION

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE / Drug design / HIV-1 protease / protease inhibitors

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