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TitleDiscovery and optimization of novel and potent allosteric HIV-1 integrase inhibitors with a spiro[indene] moiety.
Journal, issue, pagesBioorg. Med. Chem., Vol. 134, Page 118526-118526, Year 2026
Publish dateDec 2, 2025 (structure data deposition date)
AuthorsAdachi, K. / Manabe, T. / Yamasaki, T. / Suma, A. / Ogoshi, Y. / Takahashi, A. / Orita, T. / Nomura, A. / Adachi, T. / Ohata, Y. ...Adachi, K. / Manabe, T. / Yamasaki, T. / Suma, A. / Ogoshi, Y. / Takahashi, A. / Orita, T. / Nomura, A. / Adachi, T. / Ohata, Y. / Akiyama, Y. / Miyazaki, S.
External linksBioorg. Med. Chem. / PubMed:41429097
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-20xx:
HIV-1 integrase core domain in complex with potent allosteric inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

PDB-1mcx:
STRUCTURE OF FULL-LENGTH ANNEXIN A1 IN THE PRESENCE OF CALCIUM

ChemComp-1PE:
PENTAETHYLENE GLYCOL / precipitant*YM

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus type 1 (new york-5 isolate)
KeywordsVIRAL PROTEIN / Inhibitor / Compplex

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