4RME
 
 | | Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB111 and coactivator peptide GRIP-1 | | Descriptor: | (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-(propan-2-yl)cyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Xia, G, Muccio, D.D. | | Deposit date: | 2014-10-21 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers.
J.Med.Chem., 58, 2015
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4RMD
 | | Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB110 and coactivator peptide GRIP-1 | | Descriptor: | (2E,4E,6Z,8E)-8-[3-cyclopropyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethylocta-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Xia, G, Muccio, D.D. | | Deposit date: | 2014-10-21 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers.
J.Med.Chem., 58, 2015
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4RMC
 | | Crystal Structure of human retinoid X receptor alpha-ligand binding domain complex with 9cUAB76 and the coactivator peptide GRIP-1 | | Descriptor: | (3S,7S,8E)-8-[3-ethyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethyloctanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Xia, G, Muccio, D.D. | | Deposit date: | 2014-10-21 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers.
J.Med.Chem., 58, 2015
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4RFW
 | | Crystal structure of human retinoid X Receptor alpha-ligand binding domain complex with 9cUAB70 and the coactivator peptide GRIP-1 | | Descriptor: | (2E,4E,6Z,8E)-3,7-dimethyl-8-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Xia, G, Muccio, D.D, Smith, C.D. | | Deposit date: | 2014-09-28 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers.
J.Med.Chem., 58, 2015
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4REF
 | | Crystal Structure of TR3 LBD_L449W in complex with Molecule 2 | | Descriptor: | 1-(3,4,5-trihydroxyphenyl)hexan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W. | | Deposit date: | 2014-09-22 | | Release date: | 2015-09-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
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4REE
 | | Crystal Structure of TR3 LBD in complex with Molecule 6 | | Descriptor: | 1-(2,3,4-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W. | | Deposit date: | 2014-09-22 | | Release date: | 2015-09-09 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
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4RE8
 | | Crystal Structure of TR3 LBD in complex with Molecule 5 | | Descriptor: | 1-(3,4,5-trihydroxyphenyl)dodecan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Weijia, W, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W. | | Deposit date: | 2014-09-22 | | Release date: | 2015-09-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
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4RAK
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4R6S
 | | Crystal structure of PPARgammma in complex with SR1663 | | Descriptor: | 4'-[(2,3-dimethyl-5-{[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Marciano, D.P, Griffin, P.R, Bruning, J.B. | | Deposit date: | 2014-08-26 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Pharmacological repression of PPAR gamma promotes osteogenesis.
Nat Commun, 6, 2015
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4R2U
 | | Crystal Structure of PPARgamma in complex with SR1664 | | Descriptor: | 4'-[(2,3-dimethyl-5-{[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Marciano, D.P, Kamenecka, T, Griffin, P.R, Bruning, J.B. | | Deposit date: | 2014-08-13 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Pharmacological repression of PPAR gamma promotes osteogenesis.
Nat Commun, 6, 2015
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4R06
 | | Crystal Structure of SR2067 bound to PPARgamma | | Descriptor: | 1-(naphthalen-1-ylsulfonyl)-N-[(1S)-1-phenylpropyl]-1H-indole-5-carboxamide, Peroxisome proliferator-activated receptor gamma, SULFATE ION | | Authors: | Marrewijk, L, Kamenecka, T, Griffin, P.R, Bruning, J.B. | | Deposit date: | 2014-07-30 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | SR2067 Reveals a Unique Kinetic and Structural Signature for PPAR gamma Partial Agonism.
Acs Chem.Biol., 11, 2016
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4QM0
 | | Crystal structure of RORc in complex with a tertiary sulfonamide inverse agonist | | Descriptor: | DIMETHYL SULFOXIDE, N-(2-methylpropyl)-N-({5-[4-(methylsulfonyl)phenyl]thiophen-2-yl}methyl)-1-phenylmethanesulfonamide, Nuclear receptor ROR-gamma | | Authors: | Boenig, G, Hymowitz, S.G, Wang, W. | | Deposit date: | 2014-06-14 | | Release date: | 2014-09-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.195 Å) | | Cite: | Reduction in lipophilicity improved the solubility, plasma-protein binding, and permeability of tertiary sulfonamide RORc inverse agonists.
Bioorg.Med.Chem.Lett., 24, 2014
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4QL8
 | | Crystal structure of Androgen Receptor in complex with the ligand | | Descriptor: | 2-chloro-4-[(3S,3aS,4S)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile, Androgen receptor | | Authors: | Krishnamurthy, N, Sangeetha, R, Ghadiyaram, C, Sasmal, S, Subramanya, H.S. | | Deposit date: | 2014-06-11 | | Release date: | 2015-06-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 3-alkoxy-pyrrolo[1,2-b]pyrazolines as selective androgen receptor modulators with ideal physicochemical properties for transdermal administration
J.Med.Chem., 57, 2014
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4QK4
 | | Crystal structure of human nuclear receptor sf-1 (nr5a1) bound to pip2 at 2.8 a resolution | | Descriptor: | (2S)-3-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate, 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | | Authors: | Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL) | | Deposit date: | 2014-06-05 | | Release date: | 2014-07-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | The signaling phospholipid PIP3 creates a new interaction surface on the nuclear receptor SF-1.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4QJR
 | | Crystal structure of human nuclear receptor sf-1 (nr5a1) bound to its hormone pip3 at 2.4 a resolution | | Descriptor: | (2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dihexadecanoate, ACETATE ION, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | | Authors: | Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL) | | Deposit date: | 2014-06-04 | | Release date: | 2014-07-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The signaling phospholipid PIP3 creates a new interaction surface on the nuclear receptor SF-1.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4QE8
 | | FXR with DM175 and NCoA-2 peptide | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid, ... | | Authors: | Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Sreeramulu, S, Nilsson, E, Dekker, N, Wissler, L, Bamberg, K, Schubert-Zsilavecz, M, Schwalbe, H. | | Deposit date: | 2014-05-15 | | Release date: | 2015-08-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | FXR with DM175 and NCoA-2 peptide
To be Published
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4Q50
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4Q13
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4Q0A
 | | Vitamin D Receptor complex with lithocholic acid | | Descriptor: | (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid, Nuclear receptor coactivator 2, Vitamin D3 receptor A | | Authors: | Belorusova, A, Rochel, N. | | Deposit date: | 2014-04-01 | | Release date: | 2014-07-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insights into the molecular mechanism of vitamin d receptor activation by lithocholic Acid involving a new mode of ligand recognition.
J.Med.Chem., 57, 2014
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4PXM
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4PWL
 | | Crystal structure of the complex between PPARgamma-LBD and the S enantiomer of Mbx-102 (Metaglidasen) | | Descriptor: | (2S)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Lavecchia, A, Piemontese, L. | | Deposit date: | 2014-03-20 | | Release date: | 2015-02-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | On the metabolically active form of metaglidasen: improved synthesis and investigation of its peculiar activity on peroxisome proliferator-activated receptors and skeletal muscles.
Chemmedchem, 10, 2015
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4PVU
 | | Crystal structure of the complex between PPARgamma-LBD and the R enantiomer of Mbx-102 (Metaglidasen) | | Descriptor: | (2R)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Piemontese, L, Lavecchia, A. | | Deposit date: | 2014-03-18 | | Release date: | 2015-02-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | On the metabolically active form of metaglidasen: improved synthesis and investigation of its peculiar activity on peroxisome proliferator-activated receptors and skeletal muscles.
Chemmedchem, 10, 2015
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4PRG
 | | 0072 PARTIAL AGONIST PPAR GAMMA COCRYSTAL | | Descriptor: | (+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)-2-HEPTYL-4-OXO-5-THIAZOLIDINE, PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA) | | Authors: | Milburn, M.V. | | Deposit date: | 1999-05-07 | | Release date: | 1999-05-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A peroxisome proliferator-activated receptor gamma ligand inhibits adipocyte differentiation.
Proc.Natl.Acad.Sci.USA, 96, 1999
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4PPS
 | | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with an A-CD ring estrogen derivative | | Descriptor: | (1S,3aR,5R,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Parent, A.A, Hughes, T.S, Pollock, J.A, Gjyshi, O, Cavett, V, Nowak, J, Garcia-Ordonez, R.D, Houtman, R, Griffin, P.R, Kojetin, D.J, Katzenellenbogen, J.A, Conkright, M.D, Nettles, K.W. | | Deposit date: | 2014-02-27 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.929 Å) | | Cite: | Resveratrol modulates the inflammatory response via an estrogen receptor-signal integration network.
Elife, 3, 2014
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4PPP
 | | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Fluoro-Resveratrol | | Descriptor: | 5-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Parent, A.A, Hughes, T.S, Pollock, J.A, Gjyshi, O, Cavett, V, Nowak, J, Garcia-Ordonez, R.D, Houtman, R, Griffin, P.R, Kojetin, D.J, Katzenellenbogen, J.A, Conkright, M.D, Nettles, K.W. | | Deposit date: | 2014-02-27 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.686 Å) | | Cite: | Resveratrol modulates the inflammatory response via an estrogen receptor-signal integration network.
Elife, 3, 2014
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