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TitleIdentification of indoles as potential endogenous ligands of ERR gamma and their modulation on drug binding.
Journal, issue, pagesActa Pharmacol. Sin., Vol. 46, Page 2574-2582, Year 2025
Publish dateNov 18, 2024 (structure data deposition date)
AuthorsShuai, Y.Y. / Zhang, H.Y. / Chen, R. / Wang, B.L. / Ding, P. / Dong, Y. / Sun, M.Z. / Wu, X.S. / Xu, Y. / Zhang, Y. ...Shuai, Y.Y. / Zhang, H.Y. / Chen, R. / Wang, B.L. / Ding, P. / Dong, Y. / Sun, M.Z. / Wu, X.S. / Xu, Y. / Zhang, Y. / Liu, J.S. / Wang, N. / Xu, T.T.
External linksActa Pharmacol. Sin. / PubMed:40200124
MethodsX-ray diffraction
Resolution1.5 - 1.9 Å
Structure data

PDB-9knc:
Crystal structure of human ERRg LBD in complex with 6-nitroindole
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-9knd:
Crystal structure of human ERRg LBD in complex with indole
Method: X-RAY DIFFRACTION / Resolution: 1.52 Å

PDB-9kne:
Crystal structure of human ERRg LBD in complex with 5-nitroindole
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-9knf:
Crystal structure of human ERRg LBD in complex with 4028691
Method: X-RAY DIFFRACTION / Resolution: 1.62 Å

PDB-9kng:
Crystal structure of human ERRg LBD in complex with 4034496
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

PDB-1ef8:
CRYSTAL STRUCTURE OF METHYLMALONYL COA DECARBOXYLASE

ChemComp-PGR:
R-1,2-PROPANEDIOL

ChemComp-HOH:
WATER

ChemComp-IND:
INDOLE

ChemComp-2HU:
5-nitro-1H-indole

PDB-1egb:
Unknown entry

PDB-1egd:
STRUCTURE OF T255E, E376G MUTANT OF HUMAN MEDIUM CHAIN ACYL-COA DEHYDROGENASE

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / EsRRG / LBD / nuclear receptor / complex structure

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