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Structure paper

TitleStructural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease
Journal, issue, pagesJ. Mol. Biol., Vol. 383, Page 347-357, Year 2008
Publish dateAug 29, 2007 (structure data deposition date)
AuthorsBottcher, J. / Blum, A. / Heine, A. / Diederich, W.E. / Klebe, G.
External linksJ. Mol. Biol. / PubMed:18692068
MethodsX-ray diffraction
Resolution1.58 - 1.92 Å
Structure data

PDB-2r38:
I84V HIV-1 protease mutant in complex with a carbamoyl decorated pyrrolidine-based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.81 Å

PDB-2r3t:
I50V HIV-1 protease mutant in complex with a carbamoyl decorated pyrrolidine-based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-2r3w:
I84V HIV-1 protease in complex with a amino decorated pyrrolidine-based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.92 Å

PDB-2r43:
I50V HIV-1 protease in complex with an amino decorated pyrrolidine-based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-G4G:
4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE

ChemComp-HOH:
WATER

ChemComp-G3G:
N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE)

ChemComp-GOL:
GLYCEROL

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE / protein-ligand complex / Aspartyl protease / Protease

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