1G1U
| THE 2.5 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE RXRALPHA LIGAND BINDING DOMAIN IN TETRAMER IN THE ABSENCE OF LIGAND | Descriptor: | RETINOIC ACID RECEPTOR RXR-ALPHA | Authors: | Gampe Jr, R.T, Montana, V.G, Lambert, M.H, Wisely, G.B, Milburn, M.V, Xu, H.E. | Deposit date: | 2000-10-13 | Release date: | 2001-04-25 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for autorepression of retinoid X receptor by tetramer formation and the AF-2 helix. Genes Dev., 14, 2000
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1KKQ
| Crystal structure of the human PPAR-alpha ligand-binding domain in complex with an antagonist GW6471 and a SMRT corepressor motif | Descriptor: | N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-1-ENYL}AMINO)-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE, NUCLEAR RECEPTOR CO-REPRESSOR 2, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR | Authors: | Xu, H.E, Stanley, T.B, Montana, V.G, Lambert, M.H, Shearer, B.G, Cobb, J.E, McKee, D.D, Galardi, C.M, Nolte, R.T, Parks, D.J. | Deposit date: | 2001-12-10 | Release date: | 2002-02-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for antagonist-mediated recruitment of nuclear co-repressors by PPARalpha. Nature, 415, 2002
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1NDE
| Estrogen Receptor beta with Selective Triazine Modulator | Descriptor: | 4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL, Estrogen receptor beta | Authors: | Henke, B.R, Consler, T.G, Go, N, Hale, R.L, Hohman, D.R, Jones, S.A, Lu, A.T, Moore, L.B, Moore, J.T, Orband-Miller, L.A, Robinett, R.G, Shearin, J, Spearing, P.K, Stewart, E.L, Turnbull, P.S, Weaver, S.L, Williams, S.P, Wisely, G.B, Lambert, M.H. | Deposit date: | 2002-12-09 | Release date: | 2002-12-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A New Series of Estrogen Receptor Modulators That Display Selectivity for Estrogen Receptor beta J.Med.Chem., 45, 2002
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1M2Z
| Crystal structure of a dimer complex of the human glucocorticoid receptor ligand-binding domain bound to dexamethasone and a TIF2 coactivator motif | Descriptor: | DEXAMETHASONE, glucocorticoid receptor, nuclear receptor coactivator 2, ... | Authors: | Bledsoe, R.B, Montana, V.G, Stanley, T.B, Delves, C.J, Apolito, C.J, Mckee, D.D, Consler, T.G, Parks, D.J, Stewart, E.L, Willson, T.M, Lambert, M.H, Moore, J.T, Pearce, K.H, Xu, H.E. | Deposit date: | 2002-06-26 | Release date: | 2003-07-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the Glucocorticoid Receptor Ligand Binding Domain Reveals a Novel Mode of Receptor Dimerization and Coactivator Recognition Cell(Cambridge,Mass.), 110, 2002
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1P8D
| X-Ray Crystal Structure of LXR Ligand Binding Domain with 24(S),25-epoxycholesterol | Descriptor: | 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC LOPENTA[A]PHENANTHREN-3-OL, Oxysterols receptor LXR-beta, nuclear receptor coactivator 1 isoform 3 | Authors: | Williams, S, Bledsoe, R.K, Collins, J.L, Boggs, S, Lambert, M.H, Miller, A.B, Moore, J, McKee, D.D, Moore, L, Nichols, J, Parks, D, Watson, M, Wisely, B, Willson, T.M. | Deposit date: | 2003-05-06 | Release date: | 2003-07-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray crystal structure of the liver X receptor beta ligand binding domain: regulation by
a histidine-tryptophan switch. J.Biol.Chem., 278, 2003
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1M13
| Crystal Structure of the Human Pregane X Receptor Ligand Binding Domain in Complex with Hyperforin, a Constituent of St. John's Wort | Descriptor: | 4-HYDROXY-5-ISOBUTYRYL-6-METHYL-1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)-6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON-3-ENE-2,9-DIONE, Orphan Nuclear Receptor PXR | Authors: | Watkins, R.E, Maglich, J.M, Moore, L.B, Wisely, G.B, Noble, S.M, Davis-Searles, P.R, Lambert, M.H, Kliewer, S.A, Redinbo, M.R. | Deposit date: | 2002-06-17 | Release date: | 2003-03-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 2.1 A Crystal Structure of Human PXR in Complex with the St. John's Wort Compound Hyperforin Biochemistry, 42, 2003
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1PDU
| Ligand-binding domain of Drosophila orphan nuclear receptor DHR38 | Descriptor: | nuclear hormone receptor HR38 | Authors: | Baker, K.D, Shewchuk, L.M, Korlova, T, Makishima, M, Hassell, A.M, Wisely, B, Caravella, J.A, Lambert, M.H, Wilson, T.M, Mangelsdorf, D.J. | Deposit date: | 2003-05-20 | Release date: | 2003-06-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Drosophila orphan nuclear receptor DHR38 mediates an atypical ecdysteroid signaling pathway. Cell(Cambridge,Mass.), 113, 2003
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1NRL
| Crystal Structure of the human PXR-LBD in complex with an SRC-1 coactivator peptide and SR12813 | Descriptor: | Nuclear Receptor Coactivator 1 isoform 3, Orphan nuclear receptor PXR, [2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | Authors: | Watkins, R.E, Davis-Searles, P.R, Lambert, M.H, Redinbo, M.R. | Deposit date: | 2003-01-25 | Release date: | 2003-08-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Coactivator binding promotes the specific interaction between ligand and the pregnane X receptor J.Mol.Biol., 331, 2003
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1CGL
| Structure of the catalytic domain of fibroblast collagenase complexed with an inhibitor | Descriptor: | CALCIUM ION, FIBROBLAST COLLAGENASE, N-[(1S)-3-{[(benzyloxy)carbonyl]amino}-1-carboxypropyl]-L-leucyl-N-(2-morpholin-4-ylethyl)-L-phenylalaninamide, ... | Authors: | Lovejoy, B, Cleasby, A, Hassell, A.M, Longley, K, Luther, M.A, Weigl, D, Mcgeehan, G, Mcelroy, A.B, Drewry, D, Lambert, M.H, Jordan, S.R. | Deposit date: | 1993-11-17 | Release date: | 1995-02-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the catalytic domain of fibroblast collagenase complexed with an inhibitor. Science, 263, 1994
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1FM9
| THE 2.1 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE HETERODIMER OF THE HUMAN RXRALPHA AND PPARGAMMA LIGAND BINDING DOMAINS RESPECTIVELY BOUND WITH 9-CIS RETINOIC ACID AND GI262570 AND CO-ACTIVATOR PEPTIDES. | Descriptor: | (9cis)-retinoic acid, 2-(2-BENZOYL-PHENYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA, ... | Authors: | Gampe Jr, R.T, Montana, V.G, Lambert, M.H, Miller, A.B, Bledsoe, R.K, Milburn, M.V, Kliewer, S.A, Willson, T.M, Xu, H.E. | Deposit date: | 2000-08-16 | Release date: | 2001-02-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Asymmetry in the PPARgamma/RXRalpha crystal structure reveals the molecular basis of heterodimerization among nuclear receptors. Mol.Cell, 5, 2000
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1FM6
| THE 2.1 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE HETERODIMER OF THE HUMAN RXRALPHA AND PPARGAMMA LIGAND BINDING DOMAINS RESPECTIVELY BOUND WITH 9-CIS RETINOIC ACID AND ROSIGLITAZONE AND CO-ACTIVATOR PEPTIDES. | Descriptor: | (9cis)-retinoic acid, 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), ... | Authors: | Gampe Jr, R.T, Montana, V.G, Lambert, M.H, Miller, A.B, Bledsoe, R.K, Milburn, M.V, Kliewer, S.A, Willson, T.M, Xu, H.E. | Deposit date: | 2000-08-16 | Release date: | 2001-02-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Asymmetry in the PPARgamma/RXRalpha crystal structure reveals the molecular basis of heterodimerization among nuclear receptors. Mol.Cell, 5, 2000
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1K74
| The 2.3 Angstrom resolution crystal structure of the heterodimer of the human PPARgamma and RXRalpha ligand binding domains respectively bound with GW409544 and 9-cis retinoic acid and co-activator peptides. | Descriptor: | (9cis)-retinoic acid, 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID, Peroxisome proliferator activated receptor gamma, ... | Authors: | Xu, H.E, Lambert, M.H, Montana, V.G, Moore, L.B, Collins, J.L, Oplinger, J.A, Kliewer, S.A, Gampe Jr, R.T, McKee, D.D, Moore, J.T, Willson, T.M. | Deposit date: | 2001-10-18 | Release date: | 2001-12-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural determinants of ligand binding selectivity between the peroxisome proliferator-activated receptors. Proc.Natl.Acad.Sci.USA, 98, 2001
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1K7L
| The 2.5 Angstrom resolution crystal structure of the human PPARalpha ligand binding domain bound with GW409544 and a co-activator peptide. | Descriptor: | 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID, Peroxisome proliferator activated receptor alpha, YTTRIUM (III) ION, ... | Authors: | Xu, H.E, Lambert, M.H, Montana, V.G, Moore, L.B, Collins, J.L, Oplinger, J.A, Kliewer, S.A, Gampe Jr, R.T, McKee, D.D, Moore, J.T, Willson, T.M. | Deposit date: | 2001-10-19 | Release date: | 2001-12-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural determinants of ligand binding selectivity between the peroxisome proliferator-activated receptors. Proc.Natl.Acad.Sci.USA, 98, 2001
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1F0J
| CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 4B2B | Descriptor: | ARSENIC, MAGNESIUM ION, PHOSPHODIESTERASE 4B, ... | Authors: | Xu, R.X, Hassell, A.M, Vanderwall, D, Lambert, M.H, Holmes, W.D, Luther, M.A, Rocque, W.J, Milburn, M.V, Zhao, Y, Ke, H, Nolte, R.T. | Deposit date: | 2000-05-16 | Release date: | 2000-07-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Atomic structure of PDE4: insights into phosphodiesterase mechanism and specificity. Science, 288, 2000
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1GWX
| MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS | Descriptor: | 2-(4-{3-[1-[2-(2-CHLORO-6-FLUORO-PHENYL)-ETHYL]-3-(2,3-DICHLORO-PHENYL)-UREIDO]-PROPYL}-PHENOXY)-2-METHYL-PROPIONIC ACID, PROTEIN (PPAR-DELTA) | Authors: | Xu, H.E, Lambert, M.H, Montana, V.G, Park, D.J, Blanchard, S, Brown, P, Sternbach, D, Lehmann, J, Bruce, G.W, Willson, T.M, Kliewer, S.A, Milburn, M.V. | Deposit date: | 1999-03-17 | Release date: | 2000-03-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular recognition of fatty acids by peroxisome proliferator-activated receptors. Mol.Cell, 3, 1999
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3B3K
| Crystal structure of the complex between PPARgamma and the full agonist LT175 | Descriptor: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Crestani, M, Godio, C. | Deposit date: | 2007-10-22 | Release date: | 2008-10-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design J.Med.Chem., 51, 2008
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3DY6
| PPARdelta complexed with an anthranilic acid partial agonist | Descriptor: | 2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid, IODIDE ION, Peroxisome proliferator-activated receptor delta | Authors: | Lambert, M.L, Xu, R, Shearer, B.G, Wilson, T.M. | Deposit date: | 2008-07-25 | Release date: | 2008-10-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of a novel class of PPARdelta partial agonists Bioorg.Med.Chem.Lett., 18, 2008
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2BAW
| Human Nuclear Receptor-Ligand Complex 1 | Descriptor: | Peroxisome proliferator activated receptor delta, VACCENIC ACID, heptyl beta-D-glucopyranoside | Authors: | Fyffe, S.A, Alphey, M.S, Buetow, L, Smith, T.K, Ferguson, M.A.J, Sorensen, M.D, Bjorkling, F, Hunter, W.N. | Deposit date: | 2005-10-15 | Release date: | 2006-01-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Reevaluation of the PPAR-beta/delta Ligand Binding Domain Model Reveals Why It Exhibits the Activated Form Mol.Cell, 21, 2006
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3N00
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2POB
| PPARgamma Ligand binding domain complexed with a farglitazar analogue gw4709 | Descriptor: | GLYCEROL, N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE, Peroxisome proliferator-activated receptor gamma | Authors: | Nolte, R.T. | Deposit date: | 2007-04-26 | Release date: | 2008-03-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cocrystal structure guided array synthesis of PPARgamma inverse agonists BIOORG.MED.CHEM.LETT., 17, 2007
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2PRG
| LIGAND-BINDING DOMAIN OF THE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA | Descriptor: | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), NUCLEAR RECEPTOR COACTIVATOR SRC-1, ... | Authors: | Nolte, R.T, Wisely, G.B, Milburn, M.V. | Deposit date: | 1998-08-14 | Release date: | 1999-07-19 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ligand binding and co-activator assembly of the peroxisome proliferator-activated receptor-gamma. Nature, 395, 1998
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4O8F
| Crystal Structure of the complex between PPARgamma mutant R357A and rosiglitazone | Descriptor: | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), Peroxisome proliferator-activated receptor gamma | Authors: | Pochetti, G, Montanari, R, Capelli, D, Chiaraluce, R, Consalvi, V, Lori, C, Loiodice, F, Laghezza, A, Pasquo, A, Cervoni, L, Aschi, M. | Deposit date: | 2013-12-27 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 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
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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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1SKX
| Structural Disorder in the Complex of Human PXR and the Macrolide Antibiotic Rifampicin | Descriptor: | Orphan nuclear receptor PXR, RIFAMPICIN | Authors: | Chrencik, J.E, Xue, Y, Orans, J.O, Redinbo, M.R. | Deposit date: | 2004-03-05 | Release date: | 2005-03-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural disorder in the complex of human pregnane x receptor and the macrolide antibiotic rifampicin Mol.Endocrinol., 19, 2005
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3CDP
| Crystal structure of PPAR-gamma LBD complexed with a partial agonist, analogue of clofibric acid | Descriptor: | (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Pochetti, G, Montanari, R, Mazza, F. | Deposit date: | 2008-02-27 | Release date: | 2009-01-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Synthesis, biological evaluation and molecular investigation of fluorinated peroxisome proliferator-activated receptors alpha/gamma dual agonists Bioorg.Med.Chem., 20, 2012
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