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TitleAn orally bioavailable pyrrolinone inhibitor of HIV-1 protease: computational analysis and X-ray crystal structure of the enzyme complex.
Journal, issue, pagesJ. MED. CHEM., Vol. 40, Page 2440-2444, Year 1997
Publish dateJan 17, 2003 (structure data deposition date)
AuthorsSmith III, A.B. / Hirschmann, R. / Pasternak, A. / Yao, W. / Sprengeler, P.A. / Holloway, M.K. / Kuo, L.C. / Chen, Z. / Darke, P.L. / Schleif, W.A.
External linksJ. MED. CHEM. / PubMed:9258349
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-1npa:
crystal structure of HIV-1 protease-hup
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-3NH:
(3S)-TETRAHYDROFURAN-3-YL (1R,2S)-3-[4-((1R)-2-{[(S)-AMINO(HYDROXY)METHYL]OXY}-2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-3-OXOPYRROLIDIN-2-YL]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE / protease / HIV / Aspartyl protease

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