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3TKM
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Crystal structure PPAR delta binding GW0742
分子名称: GLYCEROL, Peroxisome proliferator-activated receptor delta, {4-[({2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid
著者Trivella, D.B.B, Batista, F.H, Polikarpov, I.
登録日2011-08-27
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.953 Å)
主引用文献Structural Insights into Human Peroxisome Proliferator Activated Receptor Delta (PPAR-Delta) Selective Ligand Binding.
Plos One, 7, 2012
3TKC
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Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains
分子名称: (1S,3R,5Z,7E,14beta,17alpha,20S)-20-[5-(1-hydroxy-1-methylethyl)furan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor
著者Huet, T, Moras, D, Rochel, N.
登録日2011-08-26
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Design, synthesis, evaluation, and structure of vitamin D analogues with furan side chains.
Chemistry, 18, 2012
3T03
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Crystal structure of PPAR gamma ligand binding domain in complex with a novel partial agonist GQ-16
分子名称: (5Z)-5-(5-bromo-2-methoxybenzylidene)-3-(4-methylbenzyl)-1,3-thiazolidine-2,4-dione, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
著者Rajagopalan, S, Webb, P, Baxter, J.D, Brennan, R.G, Phillips, K.J.
登録日2011-07-19
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献GQ-16, a novel peroxisome proliferator-activated receptor (PPAR gamma) ligand, promotes insulin sensitization without weight gain.
J.Biol.Chem., 287, 2012
3SZ1
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Human PPAR gamma ligand binding domain in complex with luteolin and myristic acid
分子名称: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, MYRISTIC ACID, Peroxisome proliferator-activated receptor gamma, ...
著者Puhl, A.C, Bernardes, A, Polikarpov, I.
登録日2011-07-18
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mode of peroxisome proliferator-activated receptor gamma activation by luteolin.
Mol.Pharmacol., 81, 2012
3B1M
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Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator Cerco-A
分子名称: (9aS)-8-acetyl-N-[(2-ethylnaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha
著者Matsui, Y, Hiroyuki, H.
登録日2011-07-05
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Pharmacology and in Vitro Profiling of a Novel Peroxisome Proliferator-Activated Receptor gamma Ligand, Cerco-A
Biol.Pharm.Bull., 34, 2011
3SP6
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Structural basis for iloprost as a dual PPARalpha/delta agonist
分子名称: (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,4R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1H)-ylidene]pentanoic acid, Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma coactivator 1-beta
著者Rong, H, Li, Y.
登録日2011-07-01
公開日2011-07-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structural basis for iloprost as a dual peroxisome proliferator-activated receptor alpha/delta agonist.
J.Biol.Chem., 286, 2011
3SP9
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Structural basis for iloprost as a dual PPARalpha/delta agonist
分子名称: (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,4R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1H)-ylidene]pentanoic acid, Peroxisome proliferator-activated receptor delta
著者Rong, H, Li, Y.
登録日2011-07-01
公開日2011-07-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for iloprost as a dual peroxisome proliferator-activated receptor alpha/delta agonist.
J.Biol.Chem., 286, 2011
3B0W
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Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with digoxin
分子名称: DIGOXIN, Nuclear receptor ROR-gamma
著者Fujita-Sato, S, Ito, S, Isobe, T, Ohyama, T, Wakabayashi, K, Morishita, K, Ando, O, Isono, F.
登録日2011-06-17
公開日2011-07-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of Digoxin That Antagonizes ROR{gamma}t Receptor Activity and Suppresses Th17 Cell Differentiation and Interleukin (IL)-17 Production
J.Biol.Chem., 286, 2011
3ZR7
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Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators
分子名称: 2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE, GLYCEROL, PROGESTERONE RECEPTOR, ...
著者Lusher, S.J, Raaijmakers, H.C.A, Vu-Pham, D, Dechering, K, Wai Lam, T, Brown, A.R, Hamilton, N.M, Nimz, O, Azevedo, R, McGuire, R, Oubrie, A, de Vlieg, J.
登録日2011-06-15
公開日2011-08-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators.
J. Biol. Chem., 286, 2011
3ZRA
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Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators
分子名称: N-{(1R)-1-[4-(2-CHLORO-5-FLUOROPYRIDIN-3-YL)PHENYL]ETHYL}-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE, PROGESTERONE RECEPTOR, SULFATE ION
著者Lusher, S.J, Raaijmakers, H.C.A, Vu-Pham, D, Dechering, K, Wai Lam, T, Brown, A.R, Hamilton, N.M, Nimz, O, Azevedo, R, McGuire, R, Oubrie, A, de Vlieg, J.
登録日2011-06-15
公開日2011-08-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators.
J. Biol. Chem., 286, 2011
3ZRB
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Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators
分子名称: (R)-N-[1-[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]ETHYL]-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE, 2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE, GLYCEROL, ...
著者Lusher, S.J, Raaijmakers, H.C.A, Vu-Pham, D, Dechering, K, Wai Lam, T, Brown, A.R, Hamilton, N.M, Nimz, O, Azevedo, R, Mcguire, R, Oubrie, A, de Vlieg, J.
登録日2011-06-15
公開日2011-08-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators.
J. Biol. Chem., 286, 2011
3B0T
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Human VDR ligand binding domain in complex with maxacalcitol
分子名称: (1S,3R,5Z,7E,14beta,17alpha,20S)-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor
著者Hishiki, A, Hashimoto, H, Sato, M, Shimizu, T.
登録日2011-06-14
公開日2011-08-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Human VDR ligand binding domain in complex with maxacalcitol
To be Published
3B0R
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Human PPAR gamma ligand binding dmain complexed with GW9662 in a covalent bonded form
分子名称: 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor gamma
著者Tomioka, D, Hashimoto, H, Sato, M, Shimizu, T.
登録日2011-06-13
公開日2011-08-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Human PPAR gamma ligand binding dmain complexed with GW9662 in a covalent bonded form
To be published
3B0Q
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Human PPAR gamma ligand binding domain in complex with MCC555
分子名称: (5S)-5-({6-[(2-fluorobenzyl)oxy]naphthalen-2-yl}methyl)-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
著者Tomioka, D, Hashimoto, H, Sato, M, Shimizu, T.
登録日2011-06-13
公開日2011-08-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of human PPAR gamma in complex with MCC555
To be Published
3ZQT
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TARGETING THE BINDING FUNCTION 3 SITE OF THE ANDROGEN RECEPTOR THROUGH IN SILICO MOLECULAR MODELING
分子名称: 4-[(2R,3S)-3-[(3,4-DIHYDROXYPHENYL)METHYL]-2-METHYLBUTYL]BENZENE-1,2-DIOL, ANDROGEN RECEPTOR, SULFATE ION, ...
著者Lack, N.A, Axerio, P, Tavassoli, P, Kuchenbecker, K, Han, F.Q, Chan, K.H, Feau, C, LeBlanc, E, Tomlinson, E, Guy, R.K, Rennie, P.S, Cherkasov, A.
登録日2011-06-10
公開日2011-12-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Targeting the Binding Function 3 (Bf3) Site of the Human Androgen Receptor Through Virtual Screening.
J.Med.Chem., 54, 2011
2YLY
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Sulfonamides as selective Estrogen Receptor beta Agonists.
分子名称: ESTROGEN RECEPTOR BETA, N-cyclopropyl-4-oxidanyl-N-[(2R)-2-oxidanyl-2-phenyl-propyl]benzenesulfonamide, SULFATE ION
著者Roberts, L.R, Armour, D, Barker, C, Bazin, R, Bess, K, Brown, A, Favor, D, Ellis, D, MacKenny, M, Pullen, N, Stennett, A, Strand, L, Styles, M, Phillips, C.
登録日2011-06-06
公開日2012-06-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Sulfonamides as Selective Oestrogen Receptor Beta Agonists.
Bioorg.Med.Chem.Lett., 21, 2011
2YLO
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TARGETING THE BINDING FUNCTION 3 SITE OF THE ANDROGEN RECEPTOR THROUGH IN SILICO MOLECULAR MODELING
分子名称: 1-[2-(4-METHYLPHENOXY)ETHYL]-2-(2-PHENOXYETHYLSULFANYL)BENZIMIDAZOLE, ANDROGEN RECEPTOR, SULFATE ION, ...
著者Lack, N.A, Axerio, P, Tavassoli, P, Kuchenbecker, K, Han, F.Q, Chan, K.H, Feau, C, LeBlanc, E, Tomlinson, E, Guy, R.K, Rennie, P.S, Cherkasov, A.
登録日2011-06-04
公開日2011-07-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting the Binding Function 3 (Bf3) Site of the Human Androgen Receptor Through Virtual Screening.
J.Med.Chem., 54, 2011
2YLP
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TARGETING THE BINDING FUNCTION 3 SITE OF THE ANDROGEN RECEPTOR THROUGH IN SILICO MOLECULAR MODELING
分子名称: 3-[(2,4-DICHLOROPHENYL)METHYLSULFANYLMETHYL]BENZOIC ACID, ANDROGEN RECEPTOR, SULFATE ION, ...
著者Lack, N.A, Axerio, P, Tavassoli, P, Kuchenbecker, K, Han, F.Q, Chan, K.H, Feau, C, LeBlanc, E, Tomlinson, E, Guy, R.K, Rennie, P.S, Cherkasov, A.
登録日2011-06-04
公開日2011-07-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Targeting the Binding Function 3 (Bf3) Site of the Human Androgen Receptor Through Virtual Screening.
J.Med.Chem., 54, 2011
2YLQ
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TARGETING THE BINDING FUNCTION 3 SITE OF THE ANDROGEN RECEPTOR THROUGH IN SILICO MOLECULAR MODELING
分子名称: 3-[1-[2-(4-METHYLPHENOXY)ETHYL]BENZIMIDAZOL-2-YL]SULFANYLPROPANOIC ACID, ANDROGEN RECEPTOR, SULFATE ION, ...
著者Lack, N.A, Axerio, P, Tavassoli, P, Kuchenbecker, K, Han, F.Q, Chan, K.H, Feau, C, LeBlanc, E, Tomlinson, E, Guy, R.K, Rennie, P.S, Cherkasov, A.
登録日2011-06-04
公開日2011-07-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Targeting the Binding Function 3 (Bf3) Site of the Human Androgen Receptor Through Virtual Screening.
J.Med.Chem., 54, 2011
3S9S
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Ligand binding domain of PPARgamma complexed with a benzimidazole partial agonist
分子名称: 1-(3,4-dichlorobenzyl)-2-methyl-N-[(1R)-1-phenylpropyl]-1H-benzimidazole-5-carboxamide, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
著者Lambert, M.H, Xu, R.X.
登録日2011-06-02
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of GSK1997132B a novel centrally penetrant benzimidazole PPARgamma partial agonist.
Bioorg.Med.Chem.Lett., 21, 2011
3AZ1
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Crystal Structure Analysis of Vitamin D receptor
分子名称: Vitamin D3 receptor, {4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetic acid
著者Itoh, S, Iijima, S.
登録日2011-05-20
公開日2011-11-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Novel nonsecosteroidal vitamin D(3) carboxylic acid analogs for osteoporosis, and SAR analysis.
Bioorg.Med.Chem., 19, 2011
3AZ2
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Crystal Structure Analysis of Vitamin D receptor
分子名称: 5-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}pentanoic acid, Vitamin D3 receptor
著者Itoh, S, Iijima, S.
登録日2011-05-20
公開日2011-11-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Novel nonsecosteroidal vitamin D(3) carboxylic acid analogs for osteoporosis, and SAR analysis.
Bioorg.Med.Chem., 19, 2011
3AZ3
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Crystal Structure Analysis of Vitamin D receptor
分子名称: (4S)-4-hydroxy-5-[4-(3-{4-[(3S)-3-hydroxy-4,4-dimethylpentyl]-3-methylphenyl}pentan-3-yl)-2-methylphenoxy]pentanoic acid, Vitamin D3 receptor
著者Itoh, S, Iijima, S.
登録日2011-05-20
公開日2011-11-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Novel nonsecosteroidal vitamin D(3) carboxylic acid analogs for osteoporosis, and SAR analysis.
Bioorg.Med.Chem., 19, 2011
2YJD
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Stapled peptide bound to Estrogen Receptor Beta
分子名称: 4-(2-PROPAN-2-YLOXYBENZIMIDAZOL-1-YL)PHENOL, ESTROGEN RECEPTOR BETA, STAPLED PEPTIDE
著者Phillips, C, Roberts, L.R, Schade, M, Bent, A, Davies, N.L, Moore, R, Pannifer, A.D, Brown, D.G, Pickford, A.R, Irving, S.L.
登録日2011-05-19
公開日2011-08-03
最終更新日2017-01-25
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Design and Structure of Stapled Peptides Binding to Estrogen Receptors.
J.Am.Chem.Soc., 133, 2011
2YJA
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Stapled Peptides binding to Estrogen Receptor alpha.
分子名称: ESTRADIOL, ESTROGEN RECEPTOR, STAPLED PEPTIDE
著者Phillips, C, Roberts, L.R, Schade, M, Bazin, R, Bent, A, Davies, N.L, Irving, S.L, Moore, R, Pannifer, A.D, Brown, D.G, Pickford, A.R, Scott, A, Xu, B.
登録日2011-05-19
公開日2011-08-03
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Design and Structure of Stapled Peptides Binding to Estrogen Receptors.
J.Am.Chem.Soc., 133, 2011

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