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Structure paper

TitleAn Old Target Revisited: Two New Privileged Skeletons and an Unexpected Binding Mode For HIV-Protease Inhibitors
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 44, Page 3140-3144, Year 2005
Publish dateSep 30, 2004 (structure data deposition date)
AuthorsSpecker, E. / Boettcher, J. / Lilie, H. / Heine, A. / Schoop, A. / Muller, G. / Griebenow, N. / Klebe, G.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:15822136
MethodsX-ray diffraction
Resolution1.5 - 1.73 Å
Structure data

PDB-1xl2:
HIV-1 Protease in complex with pyrrolidinmethanamine
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-1xl5:
HIV-1 Protease in complex with amidhyroxysulfone
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-189:
N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-3-YL)METHYL]ACETAMIDE

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-190:
N-{(1S)-1-(3-BROMOBENZYL)-4-[(4-BROMOPHENYL)SULFONYL]-6-METHYL-2-OXOHEPTYL}-2-(2,6-DIMETHYLPHENOXY)ACETAMIDE

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE / Aspartyl Protease; HIV Protease; Pyrrolidine Inhibitor / Aspartyl Protease / HIV Protease / Amidhydroxysulfone Inhibitor

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