3G9E
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![BU of 3g9e by Molmil](/molmil-images/mine/3g9e) | Aleglitaar. a new. potent, and balanced dual ppara/g agonist for the treatment of type II diabetes | Descriptor: | (2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | Authors: | Ruf, A, Benz, J, Bernardeau, A, Binggeli, A, Blum, D, Boehringer, M, Grether, U, Hilpert, H, Kuhn, B, Maerki, H.P, Meyer, M, Puenterner, K, Raab, S, Schlatter, D, Gsell, B, Stihle, M, Mohr, P. | Deposit date: | 2009-02-13 | Release date: | 2009-06-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Aleglitazar, a new, potent, and balanced dual PPARalpha/gamma agonist for the treatment of type II diabetes. Bioorg.Med.Chem.Lett., 19, 2009
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6CN5
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8AQM
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![BU of 8aqm by Molmil](/molmil-images/mine/8aqm) | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 6a) | Descriptor: | 2-chloranyl-~{N}-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | Authors: | Friberg, A, Orsi, D.L, Pook, E, Braeuer, N, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | Deposit date: | 2022-08-12 | Release date: | 2022-11-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and Structure-Based Design of Potent Covalent PPAR gamma Inverse-Agonists BAY-4931 and BAY-0069 . J.Med.Chem., 65, 2022
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4POH
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![BU of 4poh by Molmil](/molmil-images/mine/4poh) | Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 8-methyl UAB30 and the coactivator peptide GRIP-1 | Descriptor: | (2E,4E,6Z,8E)-3,7-dimethyl-8-(8-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Xia, G, Smith, C.D, Muccio, D.D. | Deposit date: | 2014-02-25 | Release date: | 2014-06-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity. J.Med.Chem., 57, 2014
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5DWG
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![BU of 5dwg by Molmil](/molmil-images/mine/5dwg) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Triaryl-substituted Imine Analog, 4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol | Descriptor: | 4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-22 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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4YNK
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![BU of 4ynk by Molmil](/molmil-images/mine/4ynk) | Crystal structure of vitamin D receptor ligand binding domain complexed with a 19-norvitamin D compound | Descriptor: | (1R,3R,7E,17beta)-17-{(5S)-5-hydroxy-5-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-1-yl]penta-1,3-diyn-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Coactivator peptide drip from cDNA FLJ50196, highly similar to Peroxisome proliferator-activated receptor-binding protein, ... | Authors: | Watarai, Y, Ikura, T, Ito, N. | Deposit date: | 2015-03-10 | Release date: | 2016-01-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Synthesis, Biological Activities, and X-ray Crystal Structural Analysis of 25-Hydroxy-25(or 26)-adamantyl-17-[20(22),23-diynyl]-21-norvitamin D Compounds J.Med.Chem., 58, 2015
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2Q8S
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2PJL
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2Q5P
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![BU of 2q5p by Molmil](/molmil-images/mine/2q5p) | 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
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3R8I
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![BU of 3r8i by Molmil](/molmil-images/mine/3r8i) | Crystal Structure of PPARgamma with an achiral ureidofibrate derivative (RT86) | Descriptor: | 2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Pochetti, G, Montanari, R, Loiodice, F, Laghezza, A, Fracchiolla, G, Lavecchia, A, Novellino, E, Crestani, M. | Deposit date: | 2011-03-24 | Release date: | 2012-01-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Synthesis, characterization and biological evaluation of ureidofibrate-like derivatives endowed with peroxisome proliferator-activated receptor activity. J.Med.Chem., 55, 2012
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5DVC
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![BU of 5dvc by Molmil](/molmil-images/mine/5dvc) | Human PPARgamma ligand binding dmain complexed with SB1453 in a covalent bonded form | Descriptor: | N-[2-({3-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | Authors: | Jang, J.Y. | Deposit date: | 2015-09-21 | Release date: | 2016-09-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Human PPARgamma ligand binding dmain complexed with SB1453 in a covalent bonded form To Be Published
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4RME
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![BU of 4rme by Molmil](/molmil-images/mine/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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3AN3
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![BU of 3an3 by Molmil](/molmil-images/mine/3an3) | Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO3S | Descriptor: | (2S)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Oyama, T, Ohashi, M, Waku, T, Miyachi, H, Morikawa, K. | Deposit date: | 2010-08-30 | Release date: | 2011-07-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship J.Med.Chem., 54, 2011
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3AN4
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![BU of 3an4 by Molmil](/molmil-images/mine/3an4) | Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO4R | Descriptor: | (2R)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Oyama, T, Ohashi, M, Waku, T, Miyachi, H, Morikawa, K. | Deposit date: | 2010-08-30 | Release date: | 2011-07-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship J.Med.Chem., 54, 2011
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3KWY
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2EWP
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![BU of 2ewp by Molmil](/molmil-images/mine/2ewp) | |
2XYJ
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4IUI
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![BU of 4iui by Molmil](/molmil-images/mine/4iui) | 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
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4J26
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![BU of 4j26 by Molmil](/molmil-images/mine/4j26) | 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
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2PIN
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![BU of 2pin by Molmil](/molmil-images/mine/2pin) | 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
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1HJ1
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![BU of 1hj1 by Molmil](/molmil-images/mine/1hj1) | RAT OESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH PURE ANTIOESTROGEN ICI164,384 | Descriptor: | N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)-3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-7-YL]-N-METHYLUNDECANAMIDE, NICKEL (II) ION, OESTROGEN RECEPTOR BETA, ... | Authors: | Pike, A.C.W, Brzozowski, A.M, Carlquist, M. | Deposit date: | 2001-01-08 | Release date: | 2002-01-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Insights Into the Mode of Action of a Pure Antiestrogen Structure, 9, 2001
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2QXM
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![BU of 2qxm by Molmil](/molmil-images/mine/2qxm) | Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Burned Meat Compound PhIP | Descriptor: | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nettles, K.W, Bruning, J.B, Gil, G, 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: | 2007-08-12 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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3L0E
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![BU of 3l0e by Molmil](/molmil-images/mine/3l0e) | X-ray crystal structure of a Potent Liver X Receptor Modulator | Descriptor: | N-(2-chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1H-imidazole-4-sulfonamide, Nuclear receptor coactivator 2, Oxysterols receptor LXR-beta | Authors: | Gampe Jr, R.T. | Deposit date: | 2009-12-09 | Release date: | 2010-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of tertiary sulfonamides as potent liver X receptor antagonists. J.Med.Chem., 53, 2010
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1X7J
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![BU of 1x7j by Molmil](/molmil-images/mine/1x7j) | CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH GENISTEIN | Descriptor: | Estrogen receptor beta, GENISTEIN, STEROID RECEPTOR COACTIVATOR-1 | Authors: | Manas, E.S, Xu, Z.B, Unwalla, R.J, Somers, W.S. | Deposit date: | 2004-08-14 | Release date: | 2005-03-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Understanding the Selectivity of Genistein for Human Estrogen Receptor-Beta Using X-Ray Crystallography and Computational Methods Structure, 12, 2004
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1X78
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![BU of 1x78 by Molmil](/molmil-images/mine/1x78) | CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH WAY-244 | Descriptor: | Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1, [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE | Authors: | Manas, E.S, Unwalla, R.J, Xu, Z.B, Malamas, M.S, Miller, C.P, Harris, H.A, Hsiao, C, Akopian, T, Hum, W.T, Malakian, K, Wolfrom, S, Bapat, A, Bhat, R.A, Stahl, M.L, Somers, W.S, Alvarez, J.C. | Deposit date: | 2004-08-13 | Release date: | 2005-03-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Estrogen Receptor-Beta Selective Ligands J.Am.Chem.Soc., 126, 2004
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