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3R8A
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X-ray crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a compound with dual PPAR gamma agonism and Angiotensin II Type I receptor antagonism activity
Descriptor: 2-ethyl-5,7-dimethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3H-imidazo[4,5-b]pyridine, Peroxisome proliferator-activated receptor gamma
Authors:Ohren, J.F.
Deposit date:2011-03-23
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Discovery of a Series of Imidazo[4,5-b]pyridines with Dual Activity at Angiotensin II Type 1 Receptor and Peroxisome Proliferator-Activated Receptor-gamma.
J.Med.Chem., 54, 2011
3R5N
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BU of 3r5n by Molmil
Crystal structure of PPARgammaLBD complexed with the agonist magnolol
Descriptor: 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol, Peroxisome proliferator-activated receptor gamma
Authors:Zhang, H, Chen, L, Chen, J, Hu, L, Jiang, H, Shen, X.
Deposit date:2011-03-18
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular determinants of magnolol targeting both RXR(alpha) and PPAR(gamma).
Plos One, 6, 2011
3R5M
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Crystal structure of RXRalphaLBD complexed with the agonist magnolol
Descriptor: 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Zhang, H, Chen, L, Chen, J, Hu, L, Jiang, H, Shen, X.
Deposit date:2011-03-18
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular determinants of magnolol targeting both RXR(alpha) and PPAR(gamma).
Plos One, 6, 2011
3R2A
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Crystal structure of RXRalpha ligand-binding domain complexed with corepressor SMRT2 and antagonist rhein
Descriptor: 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, Nuclear receptor corepressor 2, Retinoic acid receptor RXR-alpha
Authors:Zhang, H, Chen, L, Chen, J, Jiang, H, Shen, X.
Deposit date:2011-03-14
Release date:2011-05-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for retinoic x receptor repression on the tetramer.
J.Biol.Chem., 286, 2011
3R29
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Crystal structure of RXRalpha ligand-binding domain complexed with corepressor SMRT2
Descriptor: Nuclear receptor corepressor 2, Retinoic acid receptor RXR-alpha
Authors:Zhang, H, Chen, L, Chen, J, Jiang, H, Shen, X.
Deposit date:2011-03-14
Release date:2011-05-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for retinoic x receptor repression on the tetramer.
J.Biol.Chem., 286, 2011
3QT0
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Revealing a steroid receptor ligand as a unique PPARgamma agonist
Descriptor: 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, Nuclear receptor coactivator 1 peptide, Peroxisome proliferator-activated receptor gamma
Authors:Rong, H.
Deposit date:2011-02-22
Release date:2012-02-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.496 Å)
Cite:Revealing a steroid receptor ligand as a unique PPAR gamma agonist.
Cell Res., 22, 2012
3Q95
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Crystal structure of human estrogen receptor alpha LBD in complex with GRIP peptide and estriol
Descriptor: CHLORIDE ION, ESTRIOL, Estrogen receptor, ...
Authors:Rajan, S.S, Kim, Y, Vanek, K, Joachimiak, A, Greene, G.L.
Deposit date:2011-01-07
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of human estrogen receptor alpha LBD in complex with GRIP peptide and Estriol
TO BE PUBLISHED
3PRG
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LIGAND BINDING DOMAIN OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR
Descriptor: PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA
Authors:Uppenberg, J, Svensson, C, Jaki, M, Bertilsson, G, Jendeberg, L, Berkenstam, A.
Deposit date:1998-08-24
Release date:1999-08-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the ligand binding domain of the human nuclear receptor PPARgamma.
J.Biol.Chem., 273, 1998
3PO9
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Crystal structure of PPARgamma ligand binding domain in complex with tripropyltin
Descriptor: 1-[chloro(dipropyl)-lambda~4~-sulfanyl]propane, Peroxisome proliferator-activated receptor gamma, S-1,2-PROPANEDIOL
Authors:le Maire, A, Bourguet, W.
Deposit date:2010-11-22
Release date:2011-11-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of PPARgamma ligand binding domain in complex with tripropyltin
To be Published
3PLZ
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BU of 3plz by Molmil
Human LRH1 LBD bound to GR470
Descriptor: (3aS,6aR)-5-[(4E)-oct-4-en-4-yl]-N,4-diphenyl-2,3,6,6a-tetrahydropentalen-3a(1H)-amine, 1,2-ETHANEDIOL, FTZ-F1 related protein, ...
Authors:Williams, S.P, Xu, R, Zuercher, W.J.
Deposit date:2010-11-15
Release date:2011-03-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Small Molecule Agonists of the Orphan Nuclear Receptors Steroidogenic Factor-1 (SF-1, NR5A1) and Liver Receptor Homologue-1 (LRH-1, NR5A2).
J.Med.Chem., 54, 2011
3PEQ
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PPARd complexed with a phenoxyacetic acid partial agonist
Descriptor: IODIDE ION, Peroxisome proliferator-activated receptor delta, [(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid, ...
Authors:Lambert, M.H, Evans, K.A, Shearer, B.G, Wisnoski, D.D, Shi, D, Jin, J, Rivero, R.A, Sparks, S.M, Winegar, D.A, Billin, A.N, Britt, C, Way, J.M, Leesnitzer, L.M, Merrihew, R.V.
Deposit date:2010-10-27
Release date:2011-10-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Phenoxyacetic acid PPARd partial agonists for the treatment of type 2 diabetes: synthesis, optimization, and in vivo efficacy
Bioorg.Med.Chem.Lett., 21, 2011
3PCU
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BU of 3pcu by Molmil
Crystal structure of human retinoic X receptor alpha ligand-binding domain complexed with LX0278 and SRC1 peptide
Descriptor: 2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Zhang, H, Zhang, Y, Shen, H, Chen, J, Li, C, Chen, L, Hu, L, Jiang, H, Shen, X.
Deposit date:2010-10-22
Release date:2011-11-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:(+)-Rutamarin as a Dual Inducer of Both GLUT4 Translocation and Expression Efficiently Ameliorates Glucose Homeostasis in Insulin-Resistant Mice.
Plos One, 7, 2012
3PBA
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Crystal structure of PPARgamma ligand binding domain in complex with monosulfate tetrabromo-bisphenol A (MonoTBBPA)
Descriptor: 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenyl hydrogen sulfate, Peroxisome proliferator-activated receptor gamma, S-1,2-PROPANEDIOL
Authors:le Maire, A, Bourguet, W.
Deposit date:2010-10-20
Release date:2011-06-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization of Novel Ligands of ER{alpha}, Er{beta}, and PPAR{gamma}: The Case of Halogenated Bisphenol A and Their Conjugated Metabolites.
Toxicol Sci, 122, 2011
3P8X
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Synthesis, Structure, and Biological Activity of des-Side Chain Analogues of 1alpha,25-Dihydroxyvitamin D3 with Substituents at C-18
Descriptor: (1R,3S,5Z)-5-{(2E)-2-[(3aR,7aS)-7a-(7-hydroxy-7-methyloctyl)octahydro-4H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol, SULFATE ION, Vitamin D3 receptor
Authors:Rochel, N, Sato, Y, Moras, D.
Deposit date:2010-10-15
Release date:2011-08-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Synthesis, Structure, and Biological Activity of des-Side Chain Analogues of 1 ,25-Dihydroxyvitamin D3 with Substituents at C-18
Chemmedchem, 6, 2011
3P89
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FXR bound to a quinolinecarboxylic acid
Descriptor: 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid, Farnesoid X receptor, Nuclear receptor coactivator 1, ...
Authors:Madauss, K.P, Williams, S.P, Deaton, D.N.
Deposit date:2010-10-13
Release date:2011-08-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene.
Bioorg.Med.Chem.Lett., 21, 2011
3P88
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FXR bound to isoquinolinecarboxylic acid
Descriptor: 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid, Farnesoid X receptor, Nuclear receptor coactivator 1, ...
Authors:Madauss, K.P, Williams, S.P, Deaton, D.N.
Deposit date:2010-10-13
Release date:2011-08-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene.
Bioorg.Med.Chem.Lett., 21, 2011
3P0U
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BU of 3p0u by Molmil
Crystal Structure of the ligand binding domain of human testicular receptor 4
Descriptor: Nuclear receptor subfamily 2 group C member 2
Authors:Zhou, X.E, Suino-Powell, K.M, Xu, Y, Chan, C.-W, Kruse, S.W, Reynolds, R, Engel, J.D, Xu, H.E.
Deposit date:2010-09-29
Release date:2010-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Orphan Nuclear Receptor TR4 Is a Vitamin A-activated Nuclear Receptor.
J.Biol.Chem., 286, 2011
3OZJ
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Crystal structure of human retinoic X receptor alpha complexed with bigelovin and coactivator SRC-1
Descriptor: (3aR,4S,4aR,7aR,8R,9aS)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate, Retinoic acid receptor RXR-alpha, SRC-1, ...
Authors:Zhang, H, Li, L, Chen, L, Hu, L, Shen, X.
Deposit date:2010-09-25
Release date:2011-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure basis of bigelovin as a selective RXR agonist with a distinct binding mode
J.Mol.Biol., 407, 2011
3OZ0
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PPAR Delta in complex with azppard02
Descriptor: Peroxisome proliferator-activated receptor delta, [4-({(1S)-1-[(2,4-dichlorophenyl)carbamoyl]-1,3-dihydro-2H-isoindol-2-yl}methyl)-2-methylphenoxy]acetic acid
Authors:Ogg, D.
Deposit date:2010-09-24
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of isoindoline and tetrahydroisoquinoline derivatives as potent, selective PPARδ agonists
Bioorg.Med.Chem.Lett., 21, 2011
3OSW
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Crystal structure of PPARgamma ligand binding domain in complex with tetrabromo-bisphenol A (TBBPA)
Descriptor: 4,4'-propane-2,2-diylbis(2,6-dibromophenol), Peroxisome proliferator-activated receptor gamma, S-1,2-PROPANEDIOL
Authors:le Maire, A, Bourguet, W.
Deposit date:2010-09-10
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Peroxisome proliferator-activated receptor Gamma is a target for halogenated analogs of bisphenol A.
Environ.Health Perspect., 119, 2011
3OSI
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Crystal structure of PPARgamma ligand binding domain in complex with tetrachloro-bisphenol A (TCBPA)
Descriptor: 4,4'-propane-2,2-diylbis(2,6-dichlorophenol), Peroxisome proliferator-activated receptor gamma, S-1,2-PROPANEDIOL
Authors:le Maire, A, Bourguet, W.
Deposit date:2010-09-09
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Peroxisome proliferator-activated receptor Gamma is a target for halogenated analogs of bisphenol A.
Environ.Health Perspect., 119, 2011
3OSA
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BU of 3osa by Molmil
Estrogen Receptor
Descriptor: 4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor
Authors:Bruning, J, Parent, A.A, Gil, G, Zhao, M, Nowak, J, Pace, M.C, Smith, C.L, Afonine, P.V, Adams, P.D, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2010-09-08
Release date:2010-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.296 Å)
Cite:Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
3OS9
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Estrogen Receptor
Descriptor: 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor
Authors:Bruning, J, Parent, A.A, Gil, G, Zhao, M, Nowak, J, Pace, M.C, Smith, C.L, Afonine, P.V, Adams, P.D, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2010-09-08
Release date:2010-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
3OS8
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Estrogen Receptor
Descriptor: 4-[1-benzyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor
Authors:Bruning, J, Parent, A.A, Gil, G, Zhao, M, Nowak, J, Pace, M.C, Smith, C.L, Afonine, P.V, Adams, P.D, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2010-09-08
Release date:2010-11-10
Last modified:2021-10-06
Method:X-RAY DIFFRACTION (2.031 Å)
Cite:Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
3OOK
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Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid
Descriptor: 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid, Bile acid receptor, peptide of Nuclear receptor coactivator 1
Authors:Rudolph, M.G.
Deposit date:2010-08-31
Release date:2011-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties
Bioorg.Med.Chem.Lett., 21, 2011

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