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5YCP
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Human PPARgamma ligand binding domain complexed with Rosiglitazone
分子名称: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), Nuclear receptor coactivator 1, ...
著者Jang, J.Y, Han, B.W.
登録日2017-09-07
公開日2018-09-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for the Enhanced Anti-Diabetic Efficacy of Lobeglitazone on PPAR gamma.
Sci Rep, 8, 2018
8FH2
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Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y with DHT
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION
著者Doamekpor, S.K, Tong, L.
登録日2022-12-13
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations.
Acta Crystallogr.,Sect.F, 79, 2023
8FGY
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Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y/F877L/T878A with DHT
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor
著者Doamekpor, S.K, Tong, L.
登録日2022-12-13
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations.
Acta Crystallogr.,Sect.F, 79, 2023
8FGZ
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Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y/F877L with DHT
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION
著者Doamekpor, S.K, Tong, L.
登録日2022-12-13
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations.
Acta Crystallogr.,Sect.F, 79, 2023
8FH0
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Crystal structure of mutant Androgen Receptor ligand binding domain H875Y/F877L/T878A with DHT
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION
著者Doamekpor, S.K, Tong, L.
登録日2022-12-13
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations.
Acta Crystallogr.,Sect.F, 79, 2023
8FH1
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Crystal structure of mutant Androgen Receptor ligand binding domain F877L/T878A with DHT
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION
著者Doamekpor, S.K, Tong, L.
登録日2022-12-13
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations.
Acta Crystallogr.,Sect.F, 79, 2023
5Y2O
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Structure of PPARgamma ligand binding domain-pioglitazone complex
分子名称: (5S)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
著者Im, Y.J, Lee, M.
登録日2017-07-26
公開日2017-12-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structures of PPAR gamma complexed with lobeglitazone and pioglitazone reveal key determinants for the recognition of antidiabetic drugs
Sci Rep, 7, 2017
5Y1J
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Crystal structure of human FXR in complex with a functional drug ligand
分子名称: 2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid, Bile acid receptor, Peptide from Nuclear receptor coactivator 2
著者Lu, Y, Li, Y.
登録日2017-07-20
公開日2018-10-31
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of human FXR in complex with a functional drug liagnd
To Be Published
3HOD
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Crystal structure of the PPARgamma-LBD complexed with a new aryloxy-3phenylpropanoic acid
分子名称: (2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Laghezza, A, Lavecchia, A, Novellino, E.
登録日2009-06-02
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献New 2-Aryloxy-3-phenyl-propanoic Acids As Peroxisome Proliferator-Activated Receptors alpha/gamma Dual Agonists with Improved Potency and Reduced Adverse Effects on Skeletal Muscle Function
J.Med.Chem., 52, 2009
5Y49
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A moderator XD22 binding to bile acid receptor
分子名称: Bile acid receptor, Peptide from Nuclear receptor coactivator 2, [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate
著者Lu, Y, Li, Y.
登録日2017-08-02
公開日2019-02-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A moderator XD22 binding to bile acid receptor
To Be Published
5YP6
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RORgamma (263-509) complexed with SRC2 and Compound 6
分子名称: N-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, SRC2
著者Gao, M, Cai, W.
登録日2017-11-01
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
3GWX
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MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS
分子名称: 5,8,11,14,17-EICOSAPENTAENOIC ACID, PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR-DELTA))
著者Xu, H.E, Lambert, M.H, Montana, V.G, Parks, D.J, Blanchard, S.G, Brown, P.J, Sternbach, D.D, Lehmann, J.M, Wisely, G.B, Willson, T.M, Kliewer, S.A, Milburn, M.V.
登録日1999-04-26
公開日2000-04-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular recognition of fatty acids by peroxisome proliferator-activated receptors.
Mol.Cell, 3, 1999
3HC5
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FXR with SRC1 and GSK826
分子名称: 3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
著者Williams, S.P, Madauss, K.P.
登録日2009-05-05
公開日2009-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献FXR agonist activity of conformationally constrained analogs of GW 4064.
Bioorg.Med.Chem.Lett., 19, 2009
3H0A
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Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (PPARg) and Retinoic Acid Receptor Alpha (RXRa) in Complex with 9-cis Retinoic Acid, Co-activator Peptide, and a Partial Agonist
分子名称: 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid, Nuclear receptor coactivator 1, Co-activator Peptide, ...
著者Wang, Z, Sudom, A, Walker, N.P.
登録日2009-04-08
公開日2009-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of a PPARdelta agonist with partial agonistic activity on PPARgamma.
Bioorg.Med.Chem.Lett., 19, 2009
3IMY
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Structure of TR-beta bound to selective thyromimetic GC-1
分子名称: Thyroid hormone receptor beta, {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid
著者Bleicher, L, Polikarpov, L, Aparicio, R.
登録日2009-08-11
公開日2009-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis of GC-1 selectivity for thyroid hormone receptor isoforms.
BMC STRUCT.BIOL., 8, 2008
3FC6
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hRXRalpha & mLXRalpha with an indole Pharmacophore, SB786875
分子名称: Nr1h3 protein, RETINOIC ACID, Retinoic acid receptor RXR-alpha, ...
著者Washburn, D.G, Hoang, T.H, Campobasso, N, Smallwood, A, Parks, D.J, Webb, C.L, Frank, K, Nord, M, Duraiswami, C, Evans, C, Jaye, M, Thompson, S.K.
登録日2008-11-21
公開日2009-02-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.063 Å)
主引用文献Synthesis and SAR of potent LXR agonists containing an indole pharmacophore.
Bioorg.Med.Chem.Lett., 19, 2009
3FEI
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BU of 3fei by Molmil
Design and biological evaluation of novel, balanced dual PPARa/g agonists
分子名称: (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid, Peptide motif 5 of Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha
著者Benz, J, Grether, U, Gsell, B, Binggeli, A, Hilpert, H, Maerki, H.P, Mohr, P, Ruf, A, Stihle, M, Schlatter, D.
登録日2008-11-30
公開日2009-10-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists
Chemmedchem, 4, 2009
3IXP
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Crystal structure of the ecdysone receptor bound to BYI08346
分子名称: Ecdysone receptor, Gene regulation protein, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, ...
著者Moras, D, Billas, I.M.L, Browning, C.
登録日2009-09-04
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Adaptability of the ecdysone receptor bound to synthetic ligands
To be Published
3IA6
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X-ray Crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a PPAR gamma/alpha dual agonist
分子名称: (2S)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2H-1,2,3-triazol-2-yl)propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Ohren, J.F.
登録日2009-07-13
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Synthesis and evaluation of novel alpha-heteroaryl-phenylpropanoic acid derivatives as PPARalpha/gamma dual agonists.
Bioorg.Med.Chem., 17, 2009
3FEJ
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Design and biological evaluation of novel, balanced dual PPARa/g agonists
分子名称: (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid, Peroxisome proliferator-activated receptor gamma, peptide motif 3 of Nuclear receptor coactivator 1
著者Benz, J, Grether, U, Gsell, B, Binggeli, A, Hilpert, H, Kuhn, B, Maerki, H.P, Mohr, P, Ruf, A, Stihle, M.
登録日2008-11-30
公開日2009-10-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists
Chemmedchem, 4, 2009
5YSY
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Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2R,3R)-5-[(E)-2-{(1R,3aS,7aR)-1-[(R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl}vinyl]-2-(3-hydroxypropyl)cyclohex-4-ene-1,3-diol
分子名称: (1R,2R,3R)-5-[(E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]e thenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol, Vitamin D3 receptor
著者Takimoto-Kamimura, M, Kakuda, S.
登録日2017-11-16
公開日2018-04-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Effects of 2-substitution on 14-epi-19-nortachysterol-mediated biological events: based on synthesis and X-ray co-crystallographic analysis with the human vitamin D receptor.
Org. Biomol. Chem., 16, 2018
5YT2
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Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2S,3R)-5-[(E)-2-{(1R,3aS,7aR)-1-[(R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl}vinyl]-2-(3-hydroxypropyl)cyclohex-4-ene-1,3-diol
分子名称: (1R,2S,3R)-5-[(E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol, Vitamin D3 receptor
著者Takimoto-Kamimura, M, Kakuda, S.
登録日2017-11-16
公開日2018-04-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Effects of 2-substitution on 14-epi-19-nortachysterol-mediated biological events: based on synthesis and X-ray co-crystallographic analysis with the human vitamin D receptor.
Org. Biomol. Chem., 16, 2018
1P93
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BU of 1p93 by Molmil
CRYSTAL STRUCTURE OF THE AGONIST FORM OF GLUCOCORTICOID RECEPTOR
分子名称: DEXAMETHASONE, Glucocorticoid receptor, Nuclear receptor coactivator 2
著者Kauppi, B, Jakob, C, Farnegardh, M, Yang, J, Ahola, H, Alarcon, M, Calles, K, Engstrom, O, Harlan, J, Muchmore, S, Ramqvist, A.-K, Thorell, S, Ohman, L, Greer, J, Gustafsson, J.-A, Carlstedt-Duke, J, Carlquist, M.
登録日2003-05-09
公開日2003-07-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Three-dimensional Structures of Antagonistic and Agonistic Forms of the Glucocorticoid Receptor Ligand-binding Domain: RU-486 INDUCES A TRANSCONFORMATION THAT LEADS TO ACTIVE ANTAGONISM.
J.Biol.Chem., 278, 2003
1PCG
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Helix-stabilized cyclic peptides as selective inhibitors of steroid receptor-coactivator interactions
分子名称: ESTRADIOL, estrogen receptor, peptide inhibitor
著者Leduc, A.M, Trent, J.O, Wittliff, J.L, Bramlett, K.S, Briggs, S.L, Chirgadze, N.Y, Wang, Y, Burris, T.P, Spatola, A.F.
登録日2003-05-16
公開日2003-10-28
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Helix-stabilized cyclic peptides as selective inhibitors of steroid receptor-coactivator interactions
Proc.Natl.Acad.Sci.USA, 100, 2003
1PDU
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Ligand-binding domain of Drosophila orphan nuclear receptor DHR38
分子名称: nuclear hormone receptor HR38
著者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.
登録日2003-05-20
公開日2003-06-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Drosophila orphan nuclear receptor DHR38 mediates an atypical ecdysteroid signaling pathway.
Cell(Cambridge,Mass.), 113, 2003

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