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Structure paper

TitleMechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 118, Year 2021
Publish dateNov 9, 2020 (structure data deposition date)
AuthorsDelfosse, V. / Huet, T. / Harrus, D. / Granell, M. / Bourguet, M. / Gardia-Parege, C. / Chiavarina, B. / Grimaldi, M. / Le Mevel, S. / Blanc, P. ...Delfosse, V. / Huet, T. / Harrus, D. / Granell, M. / Bourguet, M. / Gardia-Parege, C. / Chiavarina, B. / Grimaldi, M. / Le Mevel, S. / Blanc, P. / Huang, D. / Gruszczyk, J. / Demeneix, B. / Cianferani, S. / Fini, J.B. / Balaguer, P. / Bourguet, W.
External linksProc. Natl. Acad. Sci. USA / PubMed:33361153
MethodsX-ray diffraction
Resolution1.9 - 2.7 Å
Structure data

PDB-7ax8:
Crystal structure of the hPXR-LBD in apo form (P43212 SG)
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-7ax9:
Crystal structure of the hPXR-LBD in complex with cis-chlordane
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-7axa:
Crystal structure of the hPXR-LBD in complex with clotrimazole
Method: X-RAY DIFFRACTION / Resolution: 2.26 Å

PDB-7axb:
Crystal structure of the hPXR-LBD in complex with endosulfan
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

PDB-7axc:
Crystal structure of the hPXR-LBD in complex with ferutinine
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-7axd:
Crystal structure of the hPXR-LBD in complex with fipronil
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

PDB-7axe:
Crystal structure of the hPXR-LBD in complex with oxadiazon
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-7axf:
Crystal structure of the hPXR-LBD in complex with pretilachlor
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-7axg:
Crystal structure of the hPXR-LBD in complex with tributyltin
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-7axh:
Crystal structure of the hPXR-LBD in complex with alpha-zearalanol
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

PDB-7axi:
Crystal structure of the hPXR-LBD in complex with estradiol and cis-chlordane
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-7axj:
Crystal structure of the hPXR-LBD in complex with estradiol and clotrimazole
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-7axk:
Crystal structure of the hPXR-LBD in complex with estradiol and endosulfan
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-7axl:
Crystal structure of the hPXR-LBD in complex with estradiol and heptachlor endo-epoxide
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-S6H:
(+)cis-chlordane

ChemComp-IPA:
ISOPROPYL ALCOHOL / alkaloid*YM

ChemComp-GOL:
GLYCEROL

ChemComp-CL6:
1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE / medication, antifungal*YM

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

ChemComp-S68:
endosulfan

ChemComp-27H:
ferutinine

ChemComp-S6W:
fipronil

ChemComp-S6Z:
oxadiazon

ChemComp-S6T:
pretilachlor

ChemComp-TBY:
tributylstannanyl

ChemComp-27J:
alpha-zearalanol

ChemComp-EST:
ESTRADIOL / hormone*YM

ChemComp-S6E:
(-)cis-chlordane

ChemComp-S65:
heptachlor endo-epoxide

Source
  • homo sapiens (human)
KeywordsNUCLEAR PROTEIN / NUCLEAR RECEPTOR HORMONE RECEPTOR PREGNANE X RECEPTOR

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