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TitleDiscovery of novel HIV-1 integrase-LEDGF/p75 allosteric inhibitors based on a pyridine scaffold forming an intramolecular hydrogen bond.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 33, Page 127742-127742, Year 2020
Publish dateOct 7, 2020 (structure data deposition date)
AuthorsSugiyama, S. / Akiyama, T. / Taoda, Y. / Iwaki, T. / Matsuoka, E. / Akihisa, E. / Seki, T. / Yoshinaga, T. / Kawasuji, T.
External linksBioorg. Med. Chem. Lett. / PubMed:33316407
MethodsX-ray diffraction
Resolution2.43 Å
Structure data

PDB-7d83:
Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-(2-(3-cyclohexylureido)-3,6-dimethyl-5-(5-methylchroman-6-yl)pyridin-4-yl)acetic acid
Method: X-RAY DIFFRACTION / Resolution: 2.43 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-GZ9:
(2S)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2H-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus type 1 group m subtype b (isolate ny5)
KeywordsVIRAL PROTEIN / HIV-1 Integrase

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