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TitleGarcinoic Acid Is a Natural and Selective Agonist of Pregnane X Receptor.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 3701-3712, Year 2020
Publish dateMay 21, 2019 (structure data deposition date)
AuthorsBartolini, D. / De Franco, F. / Torquato, P. / Marinelli, R. / Cerra, B. / Ronchetti, R. / Schon, A. / Fallarino, F. / De Luca, A. / Bellezza, G. ...Bartolini, D. / De Franco, F. / Torquato, P. / Marinelli, R. / Cerra, B. / Ronchetti, R. / Schon, A. / Fallarino, F. / De Luca, A. / Bellezza, G. / Ferri, I. / Sidoni, A. / Walton, W.G. / Pellock, S.J. / Redinbo, M.R. / Mani, S. / Pellicciari, R. / Gioiello, A. / Galli, F.
External linksJ. Med. Chem. / PubMed:32160459
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-6p2b:
Tethered PXR-LBD/SRC-1p bound to Garcinoic Acid
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-NQD:
(2Z,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / Garcinoic Acid / nuclear receptor

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