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TitleOn the role of the R configuration of the reaction-intermediate isostere in HIV-1 protease-inhibitor binding: X-ray structure at 2.0 A resolution.
Journal, issue, pagesActa Crystallogr. ,Sect. D, Vol. 62, Page 489-497, Year 2006
Publish dateMay 24, 2005 (structure data deposition date)
AuthorsDuskova, J. / Dohnalek, J. / Skalova, T. / Petrokova, H. / Vondrackova, E. / Hradilek, M. / Konvalinka, J. / Soucek, M. / Brynda, J. / Fabry, M. ...Duskova, J. / Dohnalek, J. / Skalova, T. / Petrokova, H. / Vondrackova, E. / Hradilek, M. / Konvalinka, J. / Soucek, M. / Brynda, J. / Fabry, M. / Sedlacek, J. / Hasek, J.
External linksActa Crystallogr. ,Sect. D / PubMed:16627941
MethodsX-ray diffraction
Resolution1.98 - 2.06 Å
Structure data

PDB-1zsf:
Crystal Structure of Complex of a Hydroxyethylamine Inhibitor with HIV-1 Protease at 2.0A Resolution
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-1zsr:
Crystal structure of wild type HIV-1 protease (BRU isolate) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[S-CH(OH)CH2NH]-PHE-GLU-PHE-NH2
Method: X-RAY DIFFRACTION / Resolution: 2.06 Å

Chemicals

ChemComp-0ZS:
N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide

ChemComp-HOH:
WATER

ChemComp-0ZT:
N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE/HYDROLASE INHIBITOR / HIV / PROTEASE / PEPTIDOMIMETIC INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR COMPLEX

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