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PDB: 85 results

7AX8
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BU of 7ax8 by Molmil
Crystal structure of the hPXR-LBD in apo form (P43212 SG)
Descriptor: 1,2-ETHANEDIOL, Nuclear receptor subfamily 1 group I member 2
Authors:Delfosse, V, Huet, T, 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
7AXE
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BU of 7axe by Molmil
Crystal structure of the hPXR-LBD in complex with oxadiazon
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, ...
Authors:Harrus, D, Delfosse, V, Bourguet, W.
Deposit date:2020-11-09
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AXD
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BU of 7axd by Molmil
Crystal structure of the hPXR-LBD in complex with fipronil
Descriptor: ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, fipronil
Authors:Granell, M, Delfosse, V, Bourguet, W.
Deposit date:2020-11-09
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AXL
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BU of 7axl by Molmil
Crystal structure of the hPXR-LBD in complex with estradiol and heptachlor endo-epoxide
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ESTRADIOL, 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 (2.5 Å)
Cite:Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AXK
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BU of 7axk by Molmil
Crystal structure of the hPXR-LBD in complex with estradiol and endosulfan
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ESTRADIOL, GLYCEROL, ...
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 Å)
Cite: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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BU of 7axi by Molmil
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
7AXA
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BU of 7axa by Molmil
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
7AXF
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BU of 7axf by Molmil
Crystal structure of the hPXR-LBD in complex with pretilachlor
Descriptor: ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, pretilachlor
Authors:Harrus, D, Delfosse, V, Bourguet, W.
Deposit date:2020-11-09
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
4X1G
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BU of 4x1g by Molmil
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
4X1F
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BU of 4x1f by Molmil
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
4XAO
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BU of 4xao by Molmil
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
4MG5
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BU of 4mg5 by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with chlordecone
Descriptor: Estrogen receptor, GLYCEROL, Nuclear receptor coactivator 1, ...
Authors:Delfosse, V, Grimaldi, M, Bourguet, W.
Deposit date:2013-08-28
Release date:2014-09-03
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014
6I61
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BU of 6i61 by Molmil
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
6HJ2
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BU of 6hj2 by Molmil
Crystal structure of hPXR in complex with dabrafenib
Descriptor: Dabrafenib, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2
Authors:Granell, M, Delfosse, V, Bourguet, W.
Deposit date:2018-08-31
Release date:2020-03-25
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structure-Based and Knowledge-Informed Design of B-Raf Inhibitors Devoid of Deleterious PXR Binding.
J.Med.Chem., 65, 2022
6I67
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BU of 6i67 by Molmil
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
6I65
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BU of 6i65 by Molmil
Crystal structure of human ERRg LBD in complex with 4-iso-propylphenol
Descriptor: 4-propan-2-ylphenol, 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 (1.5 Å)
Cite:Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors.
Cell.Mol.Life Sci., 76, 2019
6I63
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BU of 6i63 by Molmil
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
6I64
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BU of 6i64 by Molmil
Crystal structure of human ERRg LBD in complex with bisphenol-E
Descriptor: 4-[1-(4-hydroxyphenyl)ethyl]phenol, 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 (1.91 Å)
Cite: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
Descriptor: 4-[(2~{R})-butan-2-yl]phenol, 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 (1.6 Å)
Cite: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
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
3SPW
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BU of 3spw by Molmil
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
4MG9
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BU of 4mg9 by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with butylparaben
Descriptor: Estrogen receptor, GLYCEROL, Nuclear receptor coactivator 1, ...
Authors:Delfosse, V, Grimaldi, M, Bourguet, W.
Deposit date:2013-08-28
Release date:2014-09-03
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014
4MG6
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BU of 4mg6 by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with benzylbutylphtalate
Descriptor: Estrogen receptor, GLYCEROL, Nuclear receptor coactivator 1, ...
Authors:Delfosse, V, Grimaldi, M, Bourguet, W.
Deposit date:2013-08-28
Release date:2014-09-03
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014
4MGC
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BU of 4mgc by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with benzophenone-2
Descriptor: Estrogen receptor, GLYCEROL, Nuclear receptor coactivator 1, ...
Authors:Delfosse, V, Grimaldi, M, Bourguet, W.
Deposit date:2013-08-28
Release date:2014-09-03
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014
4MGA
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BU of 4mga by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with 4-tert-octylphenol
Descriptor: 4-(2,4,4-trimethylpentan-2-yl)phenol, Estrogen receptor, Nuclear receptor coactivator 1
Authors:Delfosse, V, Grimaldi, M, Bourguet, W.
Deposit date:2013-08-28
Release date:2014-09-03
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014

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