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Structure paper

TitleA potent HIV protease inhibitor identified in an epimeric mixture by high-resolution protein crystallography.
Journal, issue, pagesChemmedchem, Vol. 1, Page 186-188, Year 2006
Publish dateJun 20, 2005 (structure data deposition date)
AuthorsGeremia, S. / Demitri, N. / Wuerges, J. / Benedetti, F. / Berti, F. / Tell, G. / Randaccio, L.
External linksChemmedchem / PubMed:16892350
MethodsX-ray diffraction
Resolution1.3 Å
Structure data

PDB-2a1e:
High resolution structure of HIV-1 PR with TS-126
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

Chemicals

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-NA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-ACT:
ACETATE ION

ChemComp-IPF:
N-ACETYLTRYPTOPHYL-N~1~-{3-[1-(N-ACETYLTRYPTOPHYLVALYL)PYRROLIDIN-2-YL]-1-BENZYL-2,3-DIHYDROXYPROPYL}VALINAMIDE

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE / HIV PR / PEPTIDOMIMETIC INHIBITOR / STEREOISOMER / SCREENING A MIXTURE

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