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2Q7I
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The Wild Type Androgen Receptor Ligand Binding Domain Bound with Testosterone and an AR 20-30 Peptide
Descriptor: Androgen receptor, GLYCEROL, SULFATE ION, ...
Authors:Gampe, R.T.
Deposit date:2007-06-06
Release date:2007-07-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Modulation of androgen receptor activation function 2 by testosterone and dihydrotestosterone.
J.Biol.Chem., 282, 2007
2Q8S
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X-ray Crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a PPAR gamma/alpha dual agonist
Descriptor: (2S)-3-{4-[3-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)PROPYL]PHENYL}-2-(1H-PYRROL-1-YL)PROPANOIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Ohren, J.F.
Deposit date:2007-06-11
Release date:2008-10-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Effects of modifications of the linker in a series of phenylpropanoic acid derivatives: Synthesis, evaluation as PPARalpha/gamma dual agonists, and X-ray crystallographic studies.
Bioorg.Med.Chem., 16, 2008
2P7Z
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Estrogen Related Receptor Gamma in complex with 4-hydroxy-tamoxifen
Descriptor: 4-HYDROXYTAMOXIFEN, Estrogen-related receptor gamma
Authors:Abad, M.C.
Deposit date:2007-03-21
Release date:2008-02-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural determination of estrogen-related receptor gamma in the presence of phenol derivative compounds.
J.Steroid Biochem.Mol.Biol., 108, 2008
2P1V
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Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-propoxy)-tetrahydronaphtyl cinnamic acid and a fragment of the coactivator TIF-2
Descriptor: (2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha
Authors:Bourguet, W, Nahoum, V.
Deposit date:2007-03-06
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Modulators of the structural dynamics of the retinoid X receptor to reveal receptor function.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2P1T
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Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-methoxy)-tetrahydronaphtyl cinnamic acid and a fragment of the coactivator TIF-2
Descriptor: (2E)-3-[4-HYDROXY-3-(3-METHOXY-5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha
Authors:Bourguet, W, Nahoum, V.
Deposit date:2007-03-06
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Modulators of the structural dynamics of the retinoid X receptor to reveal receptor function.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PJL
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Crystal Structure of Human Estrogen-Related Receptor alpha in Complex with a Synthetic Inverse Agonist reveals its Novel Molecular Mechanism
Descriptor: 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE, Steroid hormone receptor ERR1
Authors:Kallen, J.
Deposit date:2007-04-16
Release date:2007-06-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human estrogen-related receptor alpha in complex with a synthetic inverse agonist reveals its novel molecular mechanism.
J.Biol.Chem., 282, 2007
2Q59
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Crystal Structure of PPARgamma LBD bound to full agonist MRL20
Descriptor: (2S)-2-(2-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID, Peroxisome Proliferator-Activated Receptor gamma
Authors:Bruning, J.B, Nettles, K.W.
Deposit date:2007-05-31
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q5P
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Crystal Structure of PPARgamma bound to partial agonist MRL24
Descriptor: (2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID, Peroxisome Proliferator-Activated Receptor gamma
Authors:Bruning, J.B, Nettles, K.W.
Deposit date:2007-06-01
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q6J
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Crystal Structure of Estrogen Receptor alpha Complexed to a B-N Substituted Ligand
Descriptor: 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL, Estrogen receptor, GRIP peptide
Authors:Zhou, H, Nettles, K.W, Bruning, J.B, Kim, Y, Joachimiak, A, Sharma, S, Carlson, K.E, Stossi, F, Katzenellenbogen, B.S, Greene, G.L, Katzenellenbogen, J.A.
Deposit date:2007-06-05
Release date:2007-06-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Elemental isomerism: a boron-nitrogen surrogate for a carbon-carbon double bond increases the chemical diversity of estrogen receptor ligands
Chem.Biol., 14, 2007
2Q6R
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Crystal structure of PPAR gamma complexed with partial agonist SF147
Descriptor: 5-CHLORO-1-(3-METHOXYBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome Proliferator-Activated Receptor gamma
Authors:Bruning, J.B, Nettles, K.W.
Deposit date:2007-06-01
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.407 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2PIN
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Thyroid receptor beta in complex with inhibitor
Descriptor: 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE, SULFATE ION, Thyroid hormone receptor beta-1, ...
Authors:Estebanez-Perpina, E, Jouravel, N, Baxter, J.D, Guy, L.R, Webb, P, Fletterick, R.J.
Deposit date:2007-04-13
Release date:2008-02-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insight into the mode of action of a direct inhibitor of coregulator binding to the thyroid hormone receptor.
Mol.Endocrinol., 21, 2007
2Q70
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Estrogen receptor alpha ligand-binding domain complxed to a benzopyran ligand
Descriptor: (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor
Authors:Wang, Y.
Deposit date:2007-06-05
Release date:2007-08-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 3: synthesis of cyclopentanone and cyclohexanone intermediates for C-ring modification.
Bioorg.Med.Chem.Lett., 17, 2007
2Q7K
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The Androgen Receptor Prostate Cancer Mutant H874Y Ligand Binding Domain Bound with Testosterone and an AR 20-30 Peptide
Descriptor: Androgen receptor, GLYCEROL, SULFATE ION, ...
Authors:Gampe, R.T.
Deposit date:2007-06-07
Release date:2007-07-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Modulation of androgen receptor activation function 2 by testosterone and dihydrotestosterone.
J.Biol.Chem., 282, 2007
2Q5S
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Crystal Structure of PPARgamma bound to partial agonist nTZDpa
Descriptor: 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome Proliferator-Activated Receptor gamma
Authors:Bruning, J.B, Nettles, K.W.
Deposit date:2007-06-01
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q7L
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The Androgen Receptor Prostate Cancer Mutant H874Y Ligand Binding Domain Bound with Testosterone and a TIF2 box3 Coactivator Peptide 740-753
Descriptor: Androgen receptor, GLYCEROL, Nuclear receptor coactivator 2, ...
Authors:Gampe, R.T.
Deposit date:2007-06-07
Release date:2007-07-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Modulation of androgen receptor activation function 2 by testosterone and dihydrotestosterone.
J.Biol.Chem., 282, 2007
2Q61
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Crystal Structure of PPARgamma ligand binding domain bound to partial agonist SR145
Descriptor: 1-BENZYL-5-CHLORO-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome Proliferator-Activated Receptor gamma
Authors:Bruning, J.B, Nettles, K.W.
Deposit date:2007-06-04
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q60
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Crystal structure of the ligand binding domain of polyandrocarpa misakiensis rxr in tetramer in absence of ligand
Descriptor: Retinoid X receptor
Authors:Borel, F, De Groot, A, Juillan-Binard, C, De Rosny, E, Laudet, V, Pebay-Peyroula, E, Fontecilla-Camps, J.-C, Ferrer, J.-L.
Deposit date:2007-06-04
Release date:2008-05-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the ligand-binding domain of the retinoid X receptor from the ascidian polyandrocarpa misakiensis.
Proteins, 74, 2008
2Q7J
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The Wild Type Androgen Receptor Ligand Binding Domain Bound with Testosterone and a TIF2 box 3 Coactivator Peptide 740-753
Descriptor: Androgen receptor, GLYCEROL, Nuclear receptor coactivator 2, ...
Authors:Gampe, R.T.
Deposit date:2007-06-07
Release date:2007-07-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Modulation of androgen receptor activation function 2 by testosterone and dihydrotestosterone.
J.Biol.Chem., 282, 2007
2O9I
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Crystal Structure of the Human Pregnane X Receptor LBD in complex with an SRC-1 coactivator peptide and T0901317
Descriptor: N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, Nuclear Receptor Coactivator 1 isoform 3, Orphan nuclear receptor PXR
Authors:Xue, Y, Redinbo, M.R.
Deposit date:2006-12-13
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the PXR-T1317 complex provides a scaffold to examine the potential for receptor antagonism.
Bioorg.Med.Chem., 15, 2007
2O4J
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Crystal Structure of Rat Vitamin D Receptor Ligand Binding Domain Complexed with VitIII 17-20Z and the NR2 Box of DRIP 205
Descriptor: (1R,3R,7E,17Z)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol, Peroxisome proliferator-activated receptor-binding protein, Vitamin D3 receptor
Authors:Vanhooke, J.L, Benning, M.M, DeLuca, H.F.
Deposit date:2006-12-04
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:New analogs of 2-methylene-19-nor-(20S)-1,25-dihydroxyvitamin D(3) with conformationally restricted side chains: Evaluation of biological activity and structural determination of VDR-bound conformations.
Arch.Biochem.Biophys., 460, 2007
2O4R
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Crystal Structure of Rat Vitamin D Receptor Ligand Binding Domain Complexed with VitIII 17-20E and the NR2 Box of DRIP 205
Descriptor: (1R,3R,7E,17E)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol, Peroxisome proliferator-activated receptor-binding protein, Vitamin D3 receptor
Authors:Vanhooke, J.L, Benning, M.M, DeLuca, H.F.
Deposit date:2006-12-04
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:New analogs of 2-methylene-19-nor-(20S)-1,25-dihydroxyvitamin D(3) with conformationally restricted side chains: Evaluation of biological activity and structural determination of VDR-bound conformations.
Arch.Biochem.Biophys., 460, 2007
2NV7
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Crystal Structure of Estrogen Receptor Beta Complexed with WAY-555
Descriptor: 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:Mewshaw, R.E, Bowen, M.S, Harris, H.A, Xu, Z.B, Manas, E.S, Cohn, S.T, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-11-10
Release date:2007-08-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:ERbeta ligands. Part 5: synthesis and structure-activity relationships of a series of 4'-hydroxyphenyl-aryl-carbaldehyde oxime derivatives.
Bioorg.Med.Chem.Lett., 17, 2007
2QAB
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Crystal Structure of Estrogen Receptor Alpha Ligand Binding Domain Mutant 537S Complexed with an Ethyl Indazole Compound
Descriptor: 3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL, Estrogen receptor, nuclear receptor coactivator 2
Authors:Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L.
Deposit date:2007-06-14
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2QA6
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Crystal Structure of Estrogen Receptor Alpha mutant 537S Complexed with 4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
Descriptor: 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL, Estrogen receptor, nuclear receptor coactivator 2
Authors:Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L.
Deposit date:2007-06-14
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2QE4
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Estrogen receptor alpha ligand-binding domain in complex with a benzopyran agonist
Descriptor: (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor
Authors:Norman, B.H, Richardson, T.I, Dodge, J.A, Pfeifer, L.A, Durst, G.L, Wang, Y, Durbin, J.D, Krishnan, V, Dinn, S.R, Liu, S.Q, Reilly, J.E, Ryter, K.T.
Deposit date:2007-06-22
Release date:2007-09-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 4: Functionalization of the benzopyran A-ring.
Bioorg.Med.Chem.Lett., 17, 2007

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