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Structure paper

TitleCrystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds.
Journal, issue, pagesBiochem. Biophys. Res. Commun., Vol. 421, Page 413-417, Year 2012
Publish dateMar 9, 2011 (structure data deposition date)
AuthorsYedidi, R.S. / Liu, Z. / Wang, Y. / Brunzelle, J.S. / Kovari, I.A. / Woster, P.M. / Kovari, L.C. / Gupta, D.
External linksBiochem. Biophys. Res. Commun. / PubMed:22469467
MethodsX-ray diffraction
Resolution1.65 - 1.7 Å
Structure data

PDB-3r0w:
Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors.
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-3r0y:
Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

Chemicals

ChemComp-RSY:
N-[(2R)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-chloro-1-oxopropan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide

ChemComp-HOH:
WATER

ChemComp-RSZ:
N-[(2S)-1-{[(2S,3S)-3-hydroxy-5-oxo-5-{[(2R)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR complex / Hydrolase

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