7AXI
 
 | | Crystal structure of the hPXR-LBD in complex with estradiol and cis-chlordane | | Descriptor: | (+)cis-chlordane, (-)cis-chlordane, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | | Authors: | Huet, T, Delfosse, V, Bourguet, W. | | Deposit date: | 2020-11-09 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7AXA
 | | Crystal structure of the hPXR-LBD in complex with clotrimazole | | Descriptor: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Nuclear receptor subfamily 1 group I member 2 | | Authors: | Delfosse, V, Granell, M, Blanc, P, Bourguet, W. | | Deposit date: | 2020-11-09 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7AXF
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4X1G
 | | Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol and the pesticide trans-nonachlor | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, ISOPROPYL ALCOHOL, ... | | Authors: | Delfosse, V, Huet, T, Bourguet, W. | | Deposit date: | 2014-11-24 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
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4X1F
 | | Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, Nuclear receptor subfamily 1 group I member 2 | | Authors: | Delfosse, V, Huet, T, Bourguet, W. | | Deposit date: | 2014-11-24 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
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4XAO
 | | Crystal structure of the hPXR-LBD obtained in presence of the pesticide trans-nonachlor | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2 | | Authors: | Delfosse, V, Huet, T, Bourguet, W. | | Deposit date: | 2014-12-15 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
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6HN6
 | | A revisited version of the apo structure of the ligand-binding domain of the human nuclear receptor RXR-ALPHA | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Retinoic acid receptor RXR-alpha | | Authors: | Eberhardt, J, McEwen, A.G, Bourguet, W, Moras, D, Dejaegere, A. | | Deposit date: | 2018-09-14 | | Release date: | 2019-02-20 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | A revisited version of the apo structure of the ligand-binding domain of the human nuclear receptor retinoic X receptor alpha.
Acta Crystallogr F Struct Biol Commun, 75, 2019
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3SPW
 | | Structure of Osh4p/Kes1p in complex with phosphatidylinositol 4-phosphate | | Descriptor: | (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, Protein KES1 | | Authors: | Delfosse, V, de Saint-Jean, M, Douguet, D, Antonny, B, Drin, G, Bourguet, W. | | Deposit date: | 2011-07-04 | | Release date: | 2011-11-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Osh4p exchanges sterols for phosphatidylinositol 4-phosphate between lipid bilayers.
J.Cell Biol., 195, 2011
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3UUD
 | | Crystal structure of hERa-LBD (Y537S) in complex with estradiol | | Descriptor: | 1,2-ETHANEDIOL, ESTRADIOL, Estrogen receptor, ... | | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | | Deposit date: | 2011-11-28 | | Release date: | 2012-08-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and mechanistic insights into bisphenols action provide guidelines for risk assessment and discovery of bisphenol A substitutes.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UUA
 | | Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-AF | | Descriptor: | 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol, Estrogen receptor, Nuclear receptor coactivator 1 | | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | | Deposit date: | 2011-11-28 | | Release date: | 2012-08-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural and mechanistic insights into bisphenols action provide guidelines for risk assessment and discovery of bisphenol A substitutes.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UU7
 | | Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-A | | Descriptor: | 4,4'-PROPANE-2,2-DIYLDIPHENOL, Estrogen receptor, Nuclear receptor coactivator 1 | | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | | Deposit date: | 2011-11-28 | | Release date: | 2012-08-22 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.196 Å) | | Cite: | Structural and mechanistic insights into bisphenols action provide guidelines for risk assessment and discovery of bisphenol A substitutes.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UUC
 | | Crystal structure of hERa-LBD (wt) in complex with bisphenol-C | | Descriptor: | 4,4'-(2,2-dichloroethene-1,1-diyl)diphenol, Estrogen receptor | | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | | Deposit date: | 2011-11-28 | | Release date: | 2012-08-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and mechanistic insights into bisphenols action provide guidelines for risk assessment and discovery of bisphenol A substitutes.
Proc.Natl.Acad.Sci.USA, 109, 2012
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6I63
 | | Crystal structure of human ERRg LBD in complex with bisphenol-A | | Descriptor: | 4,4'-PROPANE-2,2-DIYLDIPHENOL, Estrogen-related receptor gamma | | Authors: | Delfosse, V, Blanc, P, Bourguet, W. | | Deposit date: | 2018-11-15 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.229 Å) | | Cite: | Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors.
Cell.Mol.Life Sci., 76, 2019
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6I64
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6I66
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6I62
 | | Crystal structure of human ERRg LBD in complex with HPTE | | Descriptor: | 4,4'-(2,2,2-trichloroethane-1,1-diyl)diphenol, Estrogen-related receptor gamma | | Authors: | Delfosse, V, Blanc, P, Bourguet, W. | | Deposit date: | 2018-11-15 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors.
Cell.Mol.Life Sci., 76, 2019
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6HJ2
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6I61
 | | Crystal structure of human ERRg LBD in complex with bisphenol-B | | Descriptor: | 1,2-ETHANEDIOL, Estrogen-related receptor gamma, GLYCEROL, ... | | Authors: | Delfosse, V, Blanc, P, Bourguet, W. | | Deposit date: | 2018-11-15 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors.
Cell.Mol.Life Sci., 76, 2019
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3PBA
 | | Crystal structure of PPARgamma ligand binding domain in complex with monosulfate tetrabromo-bisphenol A (MonoTBBPA) | | Descriptor: | 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenyl hydrogen sulfate, Peroxisome proliferator-activated receptor gamma, S-1,2-PROPANEDIOL | | Authors: | le Maire, A, Bourguet, W. | | Deposit date: | 2010-10-20 | | Release date: | 2011-06-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Characterization of Novel Ligands of ER{alpha}, Er{beta}, and PPAR{gamma}: The Case of Halogenated Bisphenol A and Their Conjugated Metabolites.
Toxicol Sci, 122, 2011
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6I65
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6I67
 | | Crystal structure of human ERRg LBD in complex with tetrahydro-2-naphtol | | Descriptor: | 5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen-related receptor gamma, GLYCEROL | | Authors: | Delfosse, V, Blanc, P, Bourguet, W. | | Deposit date: | 2018-11-15 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors.
Cell.Mol.Life Sci., 76, 2019
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3PO9
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4JYI
 | | Crystal structure of RARbeta LBD in complex with selective partial agonist BMS641 [3-chloro-4-[(E)-2-(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)ethenyl]benzoic acid] | | Descriptor: | 3-chloro-4-[(E)-2-(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)ethenyl]benzoic acid, CITRATE ANION, Nuclear receptor coactivator 1, ... | | Authors: | Nadendla, E.K, Teyssier, C, Germain, P, Delfosse, V, Bourguet, W. | | Deposit date: | 2013-03-29 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | An Unexpected Mode Of Binding Defines BMS948 as A Full Retinoic Acid Receptor beta (RAR beta , NR1B2) Selective Agonist.
Plos One, 10, 2015
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4JYH
 | | Crystal structure of RARbeta LBD in complex with selective agonist BMS948 [4-{[(8-phenylnaphthalen-2-yl)carbonyl]amino}benzoic acid] | | Descriptor: | 4-{[(8-phenylnaphthalen-2-yl)carbonyl]amino}benzoic acid, CITRATE ANION, Nuclear receptor coactivator 1, ... | | Authors: | Nadendla, E.K, Teyssier, C, Germain, P, Delfosse, V, Bourguet, W. | | Deposit date: | 2013-03-29 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | An Unexpected Mode Of Binding Defines BMS948 as A Full Retinoic Acid Receptor beta (RAR beta , NR1B2) Selective Agonist.
Plos One, 10, 2015
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4JYG
 | | Crystal structure of RARbeta LBD in complex with agonist BMS411 [4-{[(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)carbonyl]amino}benzoic acid] | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-{[(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)carbonyl]amino}benzoic acid, CITRATE ANION, ... | | Authors: | Nadendla, E.K, Teyssier, C, Germain, P, Delfosse, V, Bourguet, W. | | Deposit date: | 2013-03-29 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | An Unexpected Mode Of Binding Defines BMS948 as A Full Retinoic Acid Receptor beta (RAR beta , NR1B2) Selective Agonist.
Plos One, 10, 2015
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