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3JZC
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Crystal Structure of TR-beta bound to the selective thyromimetic TRIAC
分子名称: Thyroid hormone receptor beta, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID
著者Nascimento, A.S, Dias, S.G.M, Nunes, F.M, Aparicio, R.
登録日2009-09-23
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Gaining ligand selectivity in thyroid hormone receptors via entropy.
Proc.Natl.Acad.Sci.USA, 106, 2009
3KBA
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Progesterone receptor bound to sulfonamide pyrrolidine partial agonist
分子名称: 2-chloro-4-{(2-methylbenzyl)[(3S)-1-(methylsulfonyl)pyrrolidin-3-yl]amino}benzonitrile, Progesterone receptor, SULFATE ION
著者Kallander, L.S, Washburn, D.G, Williams, S.P, Madauss, K.P.
登録日2009-10-20
公開日2009-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Improving the developability profile of pyrrolidine progesterone receptor partial agonists.
Bioorg.Med.Chem.Lett., 20, 2010
5H1E
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Interaction between vitamin D receptor and coactivator peptide SRC2-3
分子名称: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Nuclear receptor coactivator 2 peptide, Vitamin D3 receptor
著者Egawa, D, Itoh, T, Kato, A, Kataoka, S, Anami, Y, Yamamoto, K.
登録日2016-10-08
公開日2017-01-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献SRC2-3 binds to vitamin D receptor with high sensitivity and strong affinity
Bioorg. Med. Chem., 25, 2017
3KFC
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BU of 3kfc by Molmil
Complex Structure of LXR with an agonist
分子名称: 4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline, Oxysterols receptor LXR-beta
著者Olland, A, Bernotas, R.C, Unwalla, R.
登録日2009-10-27
公開日2009-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献4-(3-Aryloxyaryl)quinoline sulfones are potent liver X receptor agonists.
Bioorg.Med.Chem.Lett., 20, 2010
5G5W
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BU of 5g5w by Molmil
Structure guided design and discovery of Indazole ethers as highly potent, non-steroidal Glucocorticoid receptor modulators
分子名称: 1,2-ETHANEDIOL, 2,2,2-trifluoro-N-[(1R,2S)-1-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide, GLUCOCORTICOID RECEPTOR, ...
著者Hemmerling, M, Edman, K, Lepisto, M, Eriksson, A, Ivanova, S, Dahmen, J, Rehwinkel, H, Berger, M, Hendrickx, R, Dearman, M, Jellesmark-Jensen, T, Wissler, L, Hansson, T.
登録日2016-06-08
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Indazole Ethers as Novel, Potent, Non-Steroidal Glucocorticoid Receptor Modulators.
Bioorg.Med.Chem.Lett., 26, 2017
5G3J
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BU of 5g3j by Molmil
Discovery of New Selective Glucocorticoid Receptor Agonist Leads
分子名称: 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5-[[(1S,2R,4R)-4-ethyl-6,7-bis(fluoranyl)-2,5-bis(oxidanyl)-2-(trifluoromethyl)-3,4-dihydro-1H-naphthalen-1-yl]amino]-1H-quinolin-2-one, ...
著者Berger, M, Edman, K, Wissler, L, Neuhaus, R, Rehwinkel, H, Schacke, H, Jaroch, S.
登録日2016-04-27
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of New Selective Glucocorticoid Receptor Agonist Leads.
Bioorg.Med.Chem.Lett., 27, 2017
3KMR
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Crystal structure of RARalpha ligand binding domain in complex with an agonist ligand (Am580) and a coactivator fragment
分子名称: 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, Nuclear receptor coactivator 1, Retinoic acid receptor alpha
著者Bourguet, W, Teyssier, C.
登録日2009-11-11
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A unique secondary-structure switch controls constitutive gene repression by retinoic acid receptor.
Nat.Struct.Mol.Biol., 17, 2010
3KYT
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BU of 3kyt by Molmil
Crystal structure of orphan nuclear receptor RORgamma in complex with natural ligand
分子名称: 20-HYDROXYCHOLESTEROL, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 2
著者Martynowski, D, Li, Y.
登録日2009-12-07
公開日2010-03-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis for hydroxycholesterols as natural ligands of orphan nuclear receptor RORgamma.
Mol.Endocrinol., 24, 2010
3L0J
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Crystal structure of orphan nuclear receptor RORgamma in complex with natural ligand
分子名称: (3alpha,8alpha,22R)-cholest-5-ene-3,22-diol, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 2
著者Martynowski, D, Li, Y.
登録日2009-12-10
公開日2010-03-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for hydroxycholesterols as natural ligands of orphan nuclear receptor RORgamma.
Mol.Endocrinol., 24, 2010
3KDU
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Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-((4-methylphenoxy)carbonyl)glycine
分子名称: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-[(4-methylphenoxy)carbonyl]glycine, Peroxisome proliferator-activated receptor alpha
著者Muckelbauer, J.K.
登録日2009-10-23
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
3KMG
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The X-ray Crystal Structure of PPAR-gamma in Complex with an Indole Derivative Modulator, GSK538, and an SRC-1 Peptide
分子名称: 4'-[(2,3-dimethyl-5-{[(1S)-1-phenylpropyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma, Steroid Receptor Coactivator-1
著者Gampe, R.
登録日2009-11-10
公開日2010-01-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synthesis and biological activities of novel indole derivatives as potent and selective PPAR-gamma modulators
TO BE PUBLISHED
3KDT
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BU of 3kdt by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-(methoxycarbonyl)glycine
分子名称: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-(methoxycarbonyl)glycine, Peroxisome proliferator-activated receptor alpha
著者Muckelbauer, J.K.
登録日2009-10-23
公開日2010-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
3KWY
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Crystal structure of RXRalpha ligand binding domain in complex with triphenyltin and a coactivator fragment
分子名称: ACETATE ION, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha, ...
著者le Maire, A, Bourguet, W.
登録日2009-12-02
公開日2010-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A structural view of nuclear hormone receptor: endocrine disruptor interactions.
Cell.Mol.Life Sci., 67, 2010
3L0L
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Crystal structure of orphan nuclear receptor RORgamma in complex with natural ligand
分子名称: 25-HYDROXYCHOLESTEROL, Nuclear receptor ROR-gamma, SCR2-2
著者Martynowski, D, Li, Y.
登録日2009-12-10
公開日2010-03-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural basis for hydroxycholesterols as natural ligands of orphan nuclear receptor RORgamma.
Mol.Endocrinol., 24, 2010
3L3Z
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BU of 3l3z by Molmil
Crystal structure of DHT-bound androgen receptor in complex with the third motif of steroid receptor coactivator 3
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Nuclear receptor coactivator 3
著者Zhou, X.E, Suino-Powell, K.M, Li, J, He, A, MacKeigan, J.P, Melcher, K, Yong, E.-L, Xu, H.E.
登録日2009-12-18
公開日2010-01-12
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of SRC3/AIB1 as a Preferred Coactivator for Hormone-activated Androgen Receptor.
J.Biol.Chem., 285, 2010
5HZC
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BU of 5hzc by Molmil
Crystal structure of the complex PPARgamma/AL26-29
分子名称: 2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Lavecchia, A.
登録日2016-02-02
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for PPAR partial or full activation revealed by a novel ligand binding mode.
Sci Rep, 6, 2016
3L1B
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Complex Structure of FXR Ligand-binding domain with a tetrahydroazepinoindole compound
分子名称: 1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate, Farnesoid X receptor
著者Xu, W, Lundquist, J.T.
登録日2009-12-11
公開日2010-03-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Improvement of Physiochemical Properties of the Tetrahydroazepinoindole Series of Farnesoid X Receptor (FXR) Agonists: Beneficial Modulation of Lipids in Primates.
J.Med.Chem., 53, 2010
3LBD
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BU of 3lbd by Molmil
LIGAND-BINDING DOMAIN OF THE HUMAN RETINOIC ACID RECEPTOR GAMMA BOUND TO 9-CIS RETINOIC ACID
分子名称: (9cis)-retinoic acid, RETINOIC ACID RECEPTOR GAMMA
著者Klaholz, B.P, Renaud, J.-P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE)
登録日1998-02-04
公開日1999-03-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Conformational adaptation of agonists to the human nuclear receptor RAR gamma.
Nat.Struct.Biol., 5, 1998
5HYR
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Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-SP2 and Estradiol
分子名称: ESTRADIOL, Estrogen receptor, GLYCEROL, ...
著者Fanning, S.W, Speltz, T.E, Mayne, C.G, Tajkhorshid, E, Greene, G.L, Moore, T.W.
登録日2016-02-01
公開日2016-05-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.271 Å)
主引用文献Stapled Peptides with gamma-Methylated Hydrocarbon Chains for the Estrogen Receptor/Coactivator Interaction.
Angew.Chem.Int.Ed.Engl., 55, 2016
5HYK
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Crystal structure of the complex PPARalpha/AL26-29
分子名称: 2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid, Peroxisome proliferator-activated receptor alpha
著者Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Lavecchia, A.
登録日2016-02-01
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural basis for PPAR partial or full activation revealed by a novel ligand binding mode.
Sci Rep, 6, 2016
3LMP
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Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator
分子名称: (9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peptide of Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
著者Matsui, Y, Hanzawa, H.
登録日2010-01-31
公開日2010-04-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a novel selective PPARgamma modulator from (-)-Cercosporamide derivatives
Bioorg.Med.Chem.Lett., 20, 2010
5I4V
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BU of 5i4v by Molmil
Discovery of novel, orally efficacious Liver X Receptor (LXR) beta agonists
分子名称: Oxysterols receptor LXR-beta,Nuclear receptor coactivator 2, Retinoic acid receptor RXR-beta,Nuclear receptor coactivator 2, {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol
著者Chen, G, McKeever, B.M.
登録日2016-02-12
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR) beta Agonist.
J.Med.Chem., 59, 2016
5ICK
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A unique binding model of FXR LBD with feroline
分子名称: (1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate, Bile acid receptor, Nuclear receptor coactivator 2
著者Lu, Y, Li, Y.
登録日2016-02-23
公開日2017-03-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献A Novel Class of Natural FXR Modulators with a Unique Mode of Selective Co-regulator Assembly
Chembiochem, 18, 2017
5IXK
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RORgamma in complex with inverse agonist BIO399.
分子名称: N-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide, Nuclear receptor ROR-gamma
著者Marcotte, D.J.
登録日2016-03-23
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural determinant for inducing RORgamma specific inverse agonism triggered by a synthetic benzoxazinone ligand.
Bmc Struct.Biol., 16, 2016
5IZ0
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RORgamma in complex with agonist BIO592 and Coactivator EBI96
分子名称: CHLORIDE ION, GLU-PHE-PRO-TYR-LEU-LEU-SER-LEU-LEU-GLY-GLU-VAL-SER-PRO-GLN, N-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide, ...
著者Marcotte, D.J.
登録日2016-03-24
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.635 Å)
主引用文献Structural determinant for inducing RORgamma specific inverse agonism triggered by a synthetic benzoxazinone ligand.
Bmc Struct.Biol., 16, 2016

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