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4IW6
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Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 7b
Descriptor: 4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2013-01-23
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4IU7
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Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 2b
Descriptor: 4-[2-ethyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2013-01-20
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4IV4
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Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 5b
Descriptor: 4-[2-(2-methylpropyl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2013-01-22
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4IVW
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BU of 4ivw by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 6b
Descriptor: 4-[2-benzyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2013-01-23
Release date:2013-03-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4IWF
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BU of 4iwf by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with a Dynamic Oxime-derivative
Descriptor: 2-chloro-3'-fluoro-3-[(E)-(hydroxyimino)methyl]biphenyl-4,4'-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2013-01-23
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.932 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4IV2
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BU of 4iv2 by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 5a
Descriptor: 4-[1-(2-methylpropyl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2013-01-22
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4IW8
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BU of 4iw8 by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 9a
Descriptor: 4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2013-01-23
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.0375 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4IUI
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BU of 4iui by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY derivative, 4a
Descriptor: 4-[1-butyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2013-01-21
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4J26
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BU of 4j26 by Molmil
Estrogen Receptor in complex with proline-flanked LXXLL peptides
Descriptor: 12-mer Peptide, ESTRADIOL, Estrogen receptor beta
Authors:Fuchs, S, Nguyen, H.D, Phan, T, Burton, M, Nieto, L, de Vries-van Leeuwen, I, Schmidt, A, Goodarzifard, M, Agten, S, Rose, R, Ottmann, C, Milroy, L.G, Brunsveld, L.
Deposit date:2013-02-04
Release date:2013-03-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Proline primed helix length as a modulator of the nuclear receptor-coactivator interaction
J.Am.Chem.Soc., 135, 2013
4J24
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BU of 4j24 by Molmil
Estrogen Receptor in complex with proline-flanked LXXLL peptides
Descriptor: 19-mer peptide, ESTRADIOL, Estrogen receptor beta
Authors:Fuchs, S, Nguyen, H.D, Phan, T, Burton, M, Nieto, L, de Vries-van Leeuwen, I, Schmidt, A, Goodarzifard, M, Agten, S, Rose, R, Ottmann, C, Milroy, L.G, Brunsveld, L.
Deposit date:2013-02-04
Release date:2013-03-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Proline primed helix length as a modulator of the nuclear receptor-coactivator interaction
J.Am.Chem.Soc., 135, 2013
4ITF
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BU of 4itf by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with 1alpha,25-Dihydroxy-2alpha-[2-(1H-tetrazole-1-yl)ethyl]vitamin D3
Descriptor: (1R,2S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-1-yl)ethyl]cyclohexane-1,3-diol, Vitamin D3 receptor
Authors:Kakuda, S, Takimoto-Kamimura, M.
Deposit date:2013-01-18
Release date:2014-01-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Synthesis of 2 alpha-heteroarylalkyl active vitamin d3 with therapeutic effect on enhancing bone mineral density in vivo
ACS MED.CHEM.LETT., 4, 2013
4IVY
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BU of 4ivy by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 7a
Descriptor: 4-[1-(but-3-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2013-01-23
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4JGV
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BU of 4jgv by Molmil
Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with THPN
Descriptor: 1-(3,4,5-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Zhang, Q, Li, F, Li, A, Tian, X, Wan, W, Wan, Y, Chen, H, Xing, Y, Wu, Q, Lin, T.
Deposit date:2013-03-04
Release date:2013-12-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
4JL4
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BU of 4jl4 by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand LJ570 [(2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid]
Descriptor: (2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D.
Deposit date:2013-03-12
Release date:2014-03-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of the First PPAR alpha / gamma Dual Agonist Able To Bind to Canonical and Alternative Sites of PPAR gamma and To Inhibit Its Cdk5-Mediated Phosphorylation.
J.Med.Chem., 61, 2018
4J5W
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BU of 4j5w by Molmil
Crystal Structure of the apo-PXR/RXRalpha LBD Heterotetramer Complex
Descriptor: MAGNESIUM ION, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1, ...
Authors:Wallace, B.D, Betts, L, Redinbo, M.R.
Deposit date:2013-02-10
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Functional Analysis of the Human Nuclear Xenobiotic Receptor PXR in Complex with RXRalpha.
J.Mol.Biol., 425, 2013
4K4J
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BU of 4k4j by Molmil
Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 9cUAB30 and the coactivator peptide GRIP-1
Descriptor: (2E,4E,6Z,8E)-8-(3,4-dihydronaphthalen-1(2H)-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha
Authors:Xia, G, Smith, C.D, Muccio, D.D.
Deposit date:2013-04-12
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Defining the Communication between Agonist and Coactivator Binding in the Retinoid X Receptor alpha Ligand Binding Domain.
J.Biol.Chem., 289, 2014
4K6I
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BU of 4k6i by Molmil
Crystal structure of human retinoid X receptor alpha-ligand binding domain complex with Targretin and the coactivator peptide GRIP-1
Descriptor: 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Xia, G, Smith, C.D, Muccio, D.D.
Deposit date:2013-04-15
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Defining the Communication between Agonist and Coactivator Binding in the Retinoid X Receptor alpha Ligand Binding Domain.
J.Biol.Chem., 289, 2014
4KZM
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BU of 4kzm by Molmil
Crystal Structure of TR3 LBD S553A Mutant
Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Li, F, Zhang, Q, Li, A, Tian, X, Cai, Q, Wang, W, Wang, Y, Chen, H, Xing, Y, Wu, Q, Lin, T.
Deposit date:2013-05-30
Release date:2013-12-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
4L98
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BU of 4l98 by Molmil
Crystal structure of the complex of F360L PPARgamma mutant with the ligand LT175
Descriptor: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Consalvi, V, Chiaraluce, R, Pasquo, A, Capelli, D, Loiodice, F, Laghezza, A, Lori, C.
Deposit date:2013-06-18
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural basis of the transactivation deficiency of the human PPAR gamma F360L mutant associated with familial partial lipodystrophy.
Acta Crystallogr.,Sect.D, 70, 2014
4KZI
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BU of 4kzi by Molmil
Crystal Structure of TR3 LBD in complex with DPDO
Descriptor: 1-(3,5-dimethoxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Li, F, Zhang, Q, Li, A, Tian, X, Cai, Q, Wang, W, Wang, Y, Chen, H, Xing, Y, Wu, Q, Lin, T.
Deposit date:2013-05-30
Release date:2013-12-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
4LNW
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BU of 4lnw by Molmil
Crystal structure of TR-alpha bound to T3 in a second site
Descriptor: 3,5,3'TRIIODOTHYRONINE, Thyroid hormone receptor alpha
Authors:Puhl, A.C, Aparicio, R, Polikarpov, I.
Deposit date:2013-07-12
Release date:2014-03-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of a new hormone-binding site on the surface of thyroid hormone receptor.
Mol.Endocrinol., 28, 2014
4L96
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BU of 4l96 by Molmil
Structure of the complex between the F360L PPARgamma mutant and the ligand LT175 (space group I222)
Descriptor: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D, Chiaraluce, R, Consalvi, V, Pasquo, A, Lori, C, Laghezza, A, Loiodice, F.
Deposit date:2013-06-18
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural basis of the transactivation deficiency of the human PPAR gamma F360L mutant associated with familial partial lipodystrophy.
Acta Crystallogr.,Sect.D, 70, 2014
4LNX
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BU of 4lnx by Molmil
Crystal structure of TR-alpha bound to T4 in a second site
Descriptor: 3,5,3',5'-TETRAIODO-L-THYRONINE, 3,5,3'TRIIODOTHYRONINE, Thyroid hormone receptor alpha
Authors:Puhl, A.C, Aparicio, R, Polikarpov, I.
Deposit date:2013-07-12
Release date:2014-03-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Identification of a new hormone-binding site on the surface of thyroid hormone receptor.
Mol.Endocrinol., 28, 2014
4LBD
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BU of 4lbd by Molmil
LIGAND-BINDING DOMAIN OF THE HUMAN RETINOIC ACID RECEPTOR GAMMA BOUND TO THE SYNTHETIC AGONIST BMS961
Descriptor: 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID, RETINOIC ACID RECEPTOR GAMMA
Authors:Klaholz, B.P, Renaud, J.-P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE)
Deposit date:1998-02-04
Release date:1999-03-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conformational adaptation of agonists to the human nuclear receptor RAR gamma.
Nat.Struct.Biol., 5, 1998
4MGB
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BU of 4mgb by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with TCBPA
Descriptor: 4,4'-propane-2,2-diylbis(2,6-dichlorophenol), Estrogen receptor, GLYCEROL, ...
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 (1.85 Å)
Cite:Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014

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