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Structure paper

TitleHIV integrase-LEDGF interaction screening by fragment linking using off-rate screening
Journal, issue, pagesTo Be Published
Publish dateAug 5, 2021 (structure data deposition date)
AuthorsGorman, M.A. / Parker, M.W.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.95 Å
Structure data

PDB-7rq0:
HIV Integrase CORE domain in complex with 2-{2-[2-(3-{[4-(2-{[(3-{2-[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)methyl]amino}ethyl)piperazin-1-yl]methyl}phenyl)ethynyl]-5-methyl-1-benzofuran-3-yl}acetic acid
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-IOD:
IODIDE ION

ChemComp-6I2:
{2-[(3-{[4-(2-{[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)methyl]amino}ethyl)piperazin-1-yl]methyl}phenyl)ethynyl]-5-methyl-1-benzofuran-3-yl}acetic acid

ChemComp-HOH:
WATER

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

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