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PDB: 85 件

7AXK
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Crystal structure of the hPXR-LBD in complex with estradiol and endosulfan
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ESTRADIOL, GLYCEROL, ...
著者Huet, T, Delfosse, V, Bourguet, W.
登録日2020-11-09
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AXI
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Crystal structure of the hPXR-LBD in complex with estradiol and cis-chlordane
分子名称: (+)cis-chlordane, (-)cis-chlordane, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
著者Huet, T, Delfosse, V, Bourguet, W.
登録日2020-11-09
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AXA
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Crystal structure of the hPXR-LBD in complex with clotrimazole
分子名称: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Nuclear receptor subfamily 1 group I member 2
著者Delfosse, V, Granell, M, Blanc, P, Bourguet, W.
登録日2020-11-09
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AXF
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BU of 7axf by Molmil
Crystal structure of the hPXR-LBD in complex with pretilachlor
分子名称: ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, pretilachlor
著者Harrus, D, Delfosse, V, Bourguet, W.
登録日2020-11-09
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
4X1F
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Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, Nuclear receptor subfamily 1 group I member 2
著者Delfosse, V, Huet, T, Bourguet, W.
登録日2014-11-24
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
4XAO
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Crystal structure of the hPXR-LBD obtained in presence of the pesticide trans-nonachlor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2
著者Delfosse, V, Huet, T, Bourguet, W.
登録日2014-12-15
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
6HN6
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BU of 6hn6 by Molmil
A revisited version of the apo structure of the ligand-binding domain of the human nuclear receptor RXR-ALPHA
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Retinoic acid receptor RXR-alpha
著者Eberhardt, J, McEwen, A.G, Bourguet, W, Moras, D, Dejaegere, A.
登録日2018-09-14
公開日2019-02-20
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献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
3SPW
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Structure of Osh4p/Kes1p in complex with phosphatidylinositol 4-phosphate
分子名称: (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
著者Delfosse, V, de Saint-Jean, M, Douguet, D, Antonny, B, Drin, G, Bourguet, W.
登録日2011-07-04
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Osh4p exchanges sterols for phosphatidylinositol 4-phosphate between lipid bilayers.
J.Cell Biol., 195, 2011
3UUD
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Crystal structure of hERa-LBD (Y537S) in complex with estradiol
分子名称: 1,2-ETHANEDIOL, ESTRADIOL, Estrogen receptor, ...
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2011-11-28
公開日2012-08-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
3UUA
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BU of 3uua by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-AF
分子名称: 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol, Estrogen receptor, Nuclear receptor coactivator 1
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2011-11-28
公開日2012-08-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献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
3UU7
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BU of 3uu7 by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-A
分子名称: 4,4'-PROPANE-2,2-DIYLDIPHENOL, Estrogen receptor, Nuclear receptor coactivator 1
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2011-11-28
公開日2012-08-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.196 Å)
主引用文献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
3UUC
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BU of 3uuc by Molmil
Crystal structure of hERa-LBD (wt) in complex with bisphenol-C
分子名称: 4,4'-(2,2-dichloroethene-1,1-diyl)diphenol, Estrogen receptor
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2011-11-28
公開日2012-08-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
3PO9
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BU of 3po9 by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with tripropyltin
分子名称: 1-[chloro(dipropyl)-lambda~4~-sulfanyl]propane, Peroxisome proliferator-activated receptor gamma, S-1,2-PROPANEDIOL
著者le Maire, A, Bourguet, W.
登録日2010-11-22
公開日2011-11-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of PPARgamma ligand binding domain in complex with tripropyltin
To be Published
3PBA
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BU of 3pba by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with monosulfate tetrabromo-bisphenol A (MonoTBBPA)
分子名称: 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
著者le Maire, A, Bourguet, W.
登録日2010-10-20
公開日2011-06-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
3OSW
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BU of 3osw by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with tetrabromo-bisphenol A (TBBPA)
分子名称: 4,4'-propane-2,2-diylbis(2,6-dibromophenol), Peroxisome proliferator-activated receptor gamma, S-1,2-PROPANEDIOL
著者le Maire, A, Bourguet, W.
登録日2010-09-10
公開日2011-05-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Peroxisome proliferator-activated receptor Gamma is a target for halogenated analogs of bisphenol A.
Environ.Health Perspect., 119, 2011
3OSI
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BU of 3osi by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with tetrachloro-bisphenol A (TCBPA)
分子名称: 4,4'-propane-2,2-diylbis(2,6-dichlorophenol), Peroxisome proliferator-activated receptor gamma, S-1,2-PROPANEDIOL
著者le Maire, A, Bourguet, W.
登録日2010-09-09
公開日2011-05-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Peroxisome proliferator-activated receptor Gamma is a target for halogenated analogs of bisphenol A.
Environ.Health Perspect., 119, 2011
6I63
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BU of 6i63 by Molmil
Crystal structure of human ERRg LBD in complex with bisphenol-A
分子名称: 4,4'-PROPANE-2,2-DIYLDIPHENOL, Estrogen-related receptor gamma
著者Delfosse, V, Blanc, P, Bourguet, W.
登録日2018-11-15
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.229 Å)
主引用文献Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors.
Cell.Mol.Life Sci., 76, 2019
6I64
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BU of 6i64 by Molmil
Crystal structure of human ERRg LBD in complex with bisphenol-E
分子名称: 4-[1-(4-hydroxyphenyl)ethyl]phenol, Estrogen-related receptor gamma, GLYCEROL
著者Delfosse, V, Blanc, P, Bourguet, W.
登録日2018-11-15
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors.
Cell.Mol.Life Sci., 76, 2019
6I66
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BU of 6i66 by Molmil
Crystal structure of human ERRg LBD in complex with 4-sec-butylphenol
分子名称: 4-[(2~{R})-butan-2-yl]phenol, Estrogen-related receptor gamma, GLYCEROL
著者Delfosse, V, Blanc, P, Bourguet, W.
登録日2018-11-15
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors.
Cell.Mol.Life Sci., 76, 2019
6I62
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BU of 6i62 by Molmil
Crystal structure of human ERRg LBD in complex with HPTE
分子名称: 4,4'-(2,2,2-trichloroethane-1,1-diyl)diphenol, Estrogen-related receptor gamma
著者Delfosse, V, Blanc, P, Bourguet, W.
登録日2018-11-15
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors.
Cell.Mol.Life Sci., 76, 2019
6HJ2
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BU of 6hj2 by Molmil
Crystal structure of hPXR in complex with dabrafenib
分子名称: Dabrafenib, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2
著者Granell, M, Delfosse, V, Bourguet, W.
登録日2018-08-31
公開日2020-03-25
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure-Based and Knowledge-Informed Design of B-Raf Inhibitors Devoid of Deleterious PXR Binding.
J.Med.Chem., 65, 2022
6I61
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BU of 6i61 by Molmil
Crystal structure of human ERRg LBD in complex with bisphenol-B
分子名称: 1,2-ETHANEDIOL, Estrogen-related receptor gamma, GLYCEROL, ...
著者Delfosse, V, Blanc, P, Bourguet, W.
登録日2018-11-15
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors.
Cell.Mol.Life Sci., 76, 2019
6I65
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BU of 6i65 by Molmil
Crystal structure of human ERRg LBD in complex with 4-iso-propylphenol
分子名称: 4-propan-2-ylphenol, Estrogen-related receptor gamma
著者Delfosse, V, Blanc, P, Bourguet, W.
登録日2018-11-15
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors.
Cell.Mol.Life Sci., 76, 2019
6I67
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BU of 6i67 by Molmil
Crystal structure of human ERRg LBD in complex with tetrahydro-2-naphtol
分子名称: 5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen-related receptor gamma, GLYCEROL
著者Delfosse, V, Blanc, P, Bourguet, W.
登録日2018-11-15
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors.
Cell.Mol.Life Sci., 76, 2019
4JYI
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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]
分子名称: 3-chloro-4-[(E)-2-(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)ethenyl]benzoic acid, CITRATE ANION, Nuclear receptor coactivator 1, ...
著者Nadendla, E.K, Teyssier, C, Germain, P, Delfosse, V, Bourguet, W.
登録日2013-03-29
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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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件を2024-10-30に公開中

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