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PDB: 85 results

6HN6
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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
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
7AXB
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BU of 7axb by Molmil
Crystal structure of the hPXR-LBD in complex with endosulfan
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Nuclear receptor subfamily 1 group I member 2, ...
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 (2.55 Å)
Cite:Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AXG
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BU of 7axg by Molmil
Crystal structure of the hPXR-LBD in complex with tributyltin
Descriptor: Nuclear receptor subfamily 1 group I member 2, tributylstannanyl
Authors:Delfosse, V, Huet, T, Blanc, P, Bourguet, W.
Deposit date:2020-11-09
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AX9
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BU of 7ax9 by Molmil
Crystal structure of the hPXR-LBD in complex with cis-chlordane
Descriptor: (+)cis-chlordane, GLYCEROL, ISOPROPYL ALCOHOL, ...
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 (2.25 Å)
Cite:Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AXH
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BU of 7axh by Molmil
Crystal structure of the hPXR-LBD in complex with alpha-zearalanol
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, ...
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 (2.55 Å)
Cite:Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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
7AXC
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BU of 7axc by Molmil
Crystal structure of the hPXR-LBD in complex with ferutinine
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, ...
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 (2.05 Å)
Cite:Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AXJ
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BU of 7axj by Molmil
Crystal structure of the hPXR-LBD in complex with estradiol and clotrimazole
Descriptor: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, 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 (2.3 Å)
Cite:Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
4JYH
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BU of 4jyh by Molmil
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
4JYG
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BU of 4jyg by Molmil
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
4JYI
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BU of 4jyi by Molmil
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
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

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PDB entries from 2024-10-02

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