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Structure paper

TitleEnamino-oxindole HIV protease inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 22, Page 5078-5083, Year 2012
Publish dateMay 29, 2012 (structure data deposition date)
AuthorsEissenstat, M. / Guerassina, T. / Gulnik, S. / Afonina, E. / Silva, A.M. / Ludtke, D. / Yokoe, H. / Yu, B. / Erickson, J.
External linksBioorg. Med. Chem. Lett. / PubMed:22749283
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-4fe6:
Crystal Structure of HIV-1 Protease in Complex with an enamino-oxindole inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-0TQ:
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({(3Z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate

ChemComp-HOH:
WATER

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

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