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Structure paper

TitleSynergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Journal, issue, pagesNat Commun, Vol. 6, Page 8089-8089, Year 2015
Publish dateNov 24, 2014 (structure data deposition date)
AuthorsDelfosse, V. / Dendele, B. / Huet, T. / Grimaldi, M. / Boulahtouf, A. / Gerbal-Chaloin, S. / Beucher, B. / Roecklin, D. / Muller, C. / Rahmani, R. ...Delfosse, V. / Dendele, B. / Huet, T. / Grimaldi, M. / Boulahtouf, A. / Gerbal-Chaloin, S. / Beucher, B. / Roecklin, D. / Muller, C. / Rahmani, R. / Cavailles, V. / Daujat-Chavanieu, M. / Vivat, V. / Pascussi, J.M. / Balaguer, P. / Bourguet, W.
External linksNat Commun / PubMed:26333997
MethodsX-ray diffraction
Resolution2 - 2.58 Å
Structure data

PDB-4x1f:
Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-4x1g:
Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol and the pesticide trans-nonachlor
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-4xao:
Crystal structure of the hPXR-LBD obtained in presence of the pesticide trans-nonachlor
Method: X-RAY DIFFRACTION / Resolution: 2.58 Å

Chemicals

ChemComp-3WF:
Ethinyl estradiol / medication, hormone*YM

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-HOH:
WATER

ChemComp-3WG:
Trans-nonachlor

ChemComp-IPA:
ISOPROPYL ALCOHOL / alkaloid*YM

Source
  • homo sapiens (human)
KeywordsGENE REGULATION / nuclear receptor / hormone receptor / pregnane X receptor / estrogen / PESTICIDE

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