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1NDE
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BU of 1nde by Molmil
Estrogen Receptor beta with Selective Triazine Modulator
分子名称: 4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL, Estrogen receptor beta
著者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.
登録日2002-12-09
公開日2002-12-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A New Series of Estrogen Receptor Modulators That Display Selectivity for Estrogen Receptor beta
J.Med.Chem., 45, 2002
1XVP
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crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid and CITCO
分子名称: 6-(4-CHLOROPHENYL)IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE O-(3,4-DICHLOROBENZYL)OXIME, Orphan nuclear receptor NR1I3, PENTADECANOIC ACID, ...
著者Xu, R.X, Lambert, M.H, Wisely, B.B, Warren, E.N, Weinert, E.E, Waitt, G.M, Williams, J.D, Moore, L.B, Willson, T.M, Moore, J.T.
登録日2004-10-28
公開日2004-12-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A Structural Basis for Constitutive Activity in the Human CAR/RXRalpha Heterodimer.
Mol.Cell, 16, 2004
1XV9
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BU of 1xv9 by Molmil
crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid, and 5b-pregnane-3,20-dione.
分子名称: (5BETA)-PREGNANE-3,20-DIONE, Orphan nuclear receptor NR1I3, PENTADECANOIC ACID, ...
著者Xu, R.X, Lambert, M.H, Wisely, B.B, Warren, E.N, Weinert, E.E, Waitt, G.M, Williams, J.D, Moore, L.B, Willson, T.M, Moore, J.T.
登録日2004-10-27
公開日2004-12-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A Structural Basis for Constitutive Activity in the Human CAR/RXRalpha Heterodimer.
Mol.Cell, 16, 2004
1K74
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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.
分子名称: (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, ...
著者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.
登録日2001-10-18
公開日2001-12-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural determinants of ligand binding selectivity between the peroxisome proliferator-activated receptors.
Proc.Natl.Acad.Sci.USA, 98, 2001
1K7L
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The 2.5 Angstrom resolution crystal structure of the human PPARalpha ligand binding domain bound with GW409544 and a co-activator peptide.
分子名称: 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, ...
著者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.
登録日2001-10-19
公開日2001-12-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural determinants of ligand binding selectivity between the peroxisome proliferator-activated receptors.
Proc.Natl.Acad.Sci.USA, 98, 2001
1M13
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Crystal Structure of the Human Pregane X Receptor Ligand Binding Domain in Complex with Hyperforin, a Constituent of St. John's Wort
分子名称: 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
著者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.
登録日2002-06-17
公開日2003-03-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献2.1 A Crystal Structure of Human PXR in Complex with the St. John's Wort Compound Hyperforin
Biochemistry, 42, 2003
3B3K
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Crystal structure of the complex between PPARgamma and the full agonist LT175
分子名称: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Crestani, M, Godio, C.
登録日2007-10-22
公開日2008-10-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
3CDP
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BU of 3cdp by Molmil
Crystal structure of PPAR-gamma LBD complexed with a partial agonist, analogue of clofibric acid
分子名称: (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Mazza, F.
登録日2008-02-27
公開日2009-01-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Synthesis, biological evaluation and molecular investigation of fluorinated peroxisome proliferator-activated receptors alpha/gamma dual agonists
Bioorg.Med.Chem., 20, 2012
3CDS
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BU of 3cds by Molmil
Crystal structure of the complex between PPAR-gamma and the agonist LT248 (clofibric acid analogue)
分子名称: (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Mazza, F.
登録日2008-02-27
公開日2008-12-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献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
4PRG
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BU of 4prg by Molmil
0072 PARTIAL AGONIST PPAR GAMMA COCRYSTAL
分子名称: (+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)-2-HEPTYL-4-OXO-5-THIAZOLIDINE, PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA)
著者Milburn, M.V.
登録日1999-05-07
公開日1999-05-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A peroxisome proliferator-activated receptor gamma ligand inhibits adipocyte differentiation.
Proc.Natl.Acad.Sci.USA, 96, 1999
1ILG
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BU of 1ilg by Molmil
Crystal Structure of Apo Human Pregnane X Receptor Ligand Binding Domain
分子名称: ORPHAN NUCLEAR RECEPTOR PXR
著者Watkins, R.E, Redinbo, M.R.
登録日2001-05-08
公開日2001-06-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献The human nuclear xenobiotic receptor PXR: structural determinants of directed promiscuity.
Science, 292, 2001
1ILH
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Crystal Structure of Human Pregnane X Receptor Ligand Binding Domain Bound to SR12813
分子名称: ORPHAN NUCLEAR RECEPTOR PXR, [2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
著者Watkins, R.E, Redinbo, M.R.
登録日2001-05-08
公開日2001-06-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献The human nuclear xenobiotic receptor PXR: structural determinants of directed promiscuity.
Science, 292, 2001
2I4Z
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Crystal structure of the complex between PPARgamma and the partial agonist LT127 (ureidofibrate derivative). This structure has been obtained from crystals soaked for 6 hours.
分子名称: (2S)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Mazza, F.
登録日2006-08-23
公開日2007-04-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Insights into the mechanism of partial agonism: crystal structures of the peroxisome proliferator-activated receptor gamma ligand-binding domain in the complex with two enantiomeric ligands
J.Biol.Chem., 282, 2007
2I4P
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Crystal structure of the complex between PPARgamma and the partial agonist LT127 (ureidofibrate derivative). Structure obtained from crystals of the apo-form soaked for 30 days.
分子名称: (2S)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Mazza, F.
登録日2006-08-22
公開日2007-04-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Insights into the mechanism of partial agonism: crystal structures of the peroxisome proliferator-activated receptor gamma ligand-binding domain in the complex with two enantiomeric ligands.
J.Biol.Chem., 282, 2007
2I4J
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Crystal structure of the complex between PPARgamma and the agonist LT160 (ureidofibrate derivative)
分子名称: (2R)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Mazza, F.
登録日2006-08-22
公開日2007-04-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Insights into the mechanism of partial agonism: crystal structures of the peroxisome proliferator-activated receptor gamma ligand-binding domain in the complex with two enantiomeric ligands
J.Biol.Chem., 282, 2007
1SKX
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Structural Disorder in the Complex of Human PXR and the Macrolide Antibiotic Rifampicin
分子名称: Orphan nuclear receptor PXR, RIFAMPICIN
著者Chrencik, J.E, Xue, Y, Orans, J.O, Redinbo, M.R.
登録日2004-03-05
公開日2005-03-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural disorder in the complex of human pregnane x receptor and the macrolide antibiotic rifampicin
Mol.Endocrinol., 19, 2005

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