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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
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
4TV1
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BU of 4tv1 by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with propylparaben
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Estrogen receptor, ...
Authors:Delfosse, V, Grimaldi, M, Bourguet, W.
Deposit date:2014-06-25
Release date:2015-01-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A structural perspective on nuclear receptors as targets of environmental compounds.
Acta Pharmacol.Sin., 36, 2015
4TUZ
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BU of 4tuz by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with alpha-zearalenol
Descriptor: (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, 1,2-ETHANEDIOL, Estrogen receptor, ...
Authors:Delfosse, V, Grimaldi, M, Bourguet, W.
Deposit date:2014-06-25
Release date:2015-01-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A structural perspective on nuclear receptors as targets of environmental compounds.
Acta Pharmacol. Sin., 36, 2015
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
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
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
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
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
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
6ZLY
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BU of 6zly by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand NV1362 (7a)
Descriptor: (2~{S})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D.
Deposit date:2020-07-01
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A Novel N-Substituted Valine Derivative with Unique Peroxisome Proliferator-Activated Receptor gamma Binding Properties and Biological Activities.
J.Med.Chem., 63, 2020
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