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TitleA highly potent and safe pyrrolopyridine-based allosteric HIV-1 integrase inhibitor targeting host LEDGF/p75-integrase interaction site.
Journal, issue, pagesPlos Pathog., Vol. 17, Page e1009671-e1009671, Year 2021
Publish dateOct 9, 2020 (structure data deposition date)
AuthorsMaehigashi, T. / Ahn, S. / Kim, U.I. / Lindenberger, J. / Oo, A. / Koneru, P.C. / Mahboubi, B. / Engelman, A.N. / Kvaratskhelia, M. / Kim, K. / Kim, B.
External linksPlos Pathog. / PubMed:34293041
MethodsX-ray diffraction
Resolution2.19 Å
Structure data

PDB-7ke0:
HIV-1 Integrase catalytic core domain complexed with allosteric inhibitor STP03-0404
Method: X-RAY DIFFRACTION / Resolution: 2.19 Å

Chemicals

ChemComp-WBV:
(2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
KeywordsTRANSFERASE/INHIBITOR / Integrase / inhibitor / HIV / TRANSFERASE-INHIBITOR complex

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