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TitleRational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication.
Journal, issue, pagesNat. Chem. Biol., Vol. 6, Page 442-448, Year 2010
Publish dateFeb 5, 2010 (structure data deposition date)
AuthorsChrist, F. / Voet, A. / Marchand, A. / Nicolet, S. / Desimmie, B.A. / Marchand, D. / Bardiot, D. / Van der Veken, N.J. / Van Remoortel, B. / Strelkov, S.V. ...Christ, F. / Voet, A. / Marchand, A. / Nicolet, S. / Desimmie, B.A. / Marchand, D. / Bardiot, D. / Van der Veken, N.J. / Van Remoortel, B. / Strelkov, S.V. / De Maeyer, M. / Chaltin, P. / Debyser, Z.
External linksNat. Chem. Biol. / PubMed:20473303
MethodsX-ray diffraction
Resolution1.95 - 2 Å
Structure data

PDB-3lpt:
HIV integrase
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3lpu:
HIV integrase
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-723:
(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-P03:
2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol

ChemComp-SO4:
SULFATE ION

ChemComp-CA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-976:
(2S)-2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid

Source
  • human immunodeficiency virus 1
KeywordsVIRAL PROTEIN / HIV / integrase / LEDGF/p75 / small molecule / inhibitor / Endonuclease / Hydrolase / Nuclease / Transferase / LEDGF/p75 small molecule

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