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1T65
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Crystal structure of the androgen receptor ligand binding domain with DHT and a peptide derived form its physiological coactivator GRIP1 NR box 2 bound in a non-helical conformation
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Nuclear receptor coactivator 2
著者Estebanez-Perpina, E, Moore, J.M.R, Mar, E, Nguyen, P, Delgado-Rodrigues, E, Baxter, J.D, Webb, P, Fletterick, R.J, Guy, R.K.
登録日2004-05-05
公開日2005-01-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献The Molecular Mechanisms of Coactivator Utilization in Ligand-dependent Transactivation by the Androgen Receptor.
J.Biol.Chem., 280, 2005
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
2YFE
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Ligand binding domain of human PPAR gamma in complex with amorfrutin 1
分子名称: Amorfrutin 1, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA
著者de Groot, J.C, Buessow, K.
登録日2011-04-05
公開日2012-04-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Amorfrutins are Potent Antidiabetic Dietary Natural Products
Proc.Natl.Acad.Sci.USA, 109, 2012
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
2YHD
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Human androgen receptor in complex with AF2 small molecule inhibitor
分子名称: 4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,2-diol, ANDROGEN RECEPTOR, SULFATE ION, ...
著者AxerioCilies, P, Lack, N.A, ShashiNayana, M.R, Chan, K.H, Yeung, A, LeBlanc, E, Guns, E, Rennie, P, Cherkasov, A.
登録日2011-04-28
公開日2011-09-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibitors of Androgen Receptor Activation Function-2 (Af2) Site Identified Through Virtual Screening.
J.Med.Chem., 54, 2011
2VV4
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hPPARgamma Ligand binding domain in complex with 6-oxoOTE
分子名称: (8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid, (8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA
著者Itoh, T, Fairall, L, Schwabe, J.W.R.
登録日2008-06-02
公開日2008-08-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
2VST
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hPPARgamma Ligand binding domain in complex with 13-(S)-HODE
分子名称: (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA
著者Itoh, T, Fairall, L, Schwabe, J.W.R.
登録日2008-04-29
公開日2008-08-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
2VV3
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hPPARgamma Ligand binding domain in complex with 4-oxoDHA
分子名称: (6E,10Z,13Z,16Z,19Z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA
著者Itoh, T, Fairall, L, Schwabe, J.W.R.
登録日2008-06-02
公開日2008-08-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural Basis for the Activation of Ppargamma by Oxidized Fatty Acids.
Nat.Struct.Mol.Biol., 15, 2008
2VV0
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hPPARgamma Ligand binding domain in complex with DHA
分子名称: DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA
著者Itoh, T, Fairall, L, Schwabe, J.W.R.
登録日2008-06-02
公開日2008-08-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
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
2Z4B
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Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand
分子名称: (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor beta
著者Wang, Y.
登録日2007-06-14
公開日2007-08-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 3: Synthesis of cyclopentanone and cyclohexanone intermediates for C-ring modification.
Bioorg.Med.Chem.Lett., 17, 2007
2ZK1
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Human peroxisome proliferator-activated receptor gamma ligand binding domain complexed with 15-deoxy-delta12,14-prostaglandin J2
分子名称: (5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid, Peroxisome proliferator-activated receptor gamma
著者Waku, T, Shiraki, T, Oyama, T, Fujimoto, Y, Morikawa, K.
登録日2008-03-12
公開日2009-02-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structural insight into PPARgamma activation through covalent modification with endogenous fatty acids
J.Mol.Biol., 385, 2009
2ZKC
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Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with bisphenol Z
分子名称: 4,4'-cyclohexane-1,1-diyldiphenol, Estrogen-related receptor gamma, GLYCEROL
著者Matsushima, A, Kakuta, Y, Teramoto, T, Shimohigashi, Y.
登録日2008-03-14
公開日2009-03-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with bisphenol Z
To be Published
2ZMI
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Crystal Structure of Rat Vitamin D Receptor Bound to Adamantyl Vitamin D Analogs: Structural Basis for Vitamin D Receptor Antagonism and/or Partial Agonism
分子名称: (1R,3R,7E,17beta)-17-{(1S,2E,5R)-5-hydroxy-1-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]pent-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 1,2-ETHANEDIOL, FORMIC ACID, ...
著者Nakabayashi, M, Yamada, S, Tanaka, T, Igarashi, M, Yoshimoto, N, Ikura, T, Ito, N, Makishima, M, Tokiwa, H, DeLuca, H.F, Shimizu, M.
登録日2008-04-19
公開日2008-09-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of rat vitamin d receptor bound to adamantyl vitamin d analogs: structural basis for vitamin d receptor antagonism and partial agonism
J.Med.Chem., 51, 2008
2ZK0
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Human peroxisome proliferator-activated receptor gamma ligand binding domain
分子名称: Peroxisome proliferator-activated receptor gamma
著者Waku, T, Shiraki, T, Oyama, T, Fujimoto, Y, Morikawa, K.
登録日2008-03-12
公開日2009-02-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structural insight into PPARgamma activation through covalent modification with endogenous fatty acids
J.Mol.Biol., 385, 2009
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
2XYJ
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Novel Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (PPAR) gamma-delta Agonists with High Potency and In-vivo Efficacy
分子名称: 5-CHLORO-2-METHOXY-N-[2-[4-[(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL]ETHYL]BENZAMIDE, PENTAETHYLENE GLYCOL, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA
著者Marquette, J.-P, Mathieu, M.
登録日2010-11-18
公開日2011-02-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (Ppar) Gamma / Delta Agonists with High Potency and in-Vivo Efficacy
Chemmedchem, 6, 2011
2XYW
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Novel Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (PPAR) gamma-delta Agonists with High Potency and In-vivo Efficacy
分子名称: 3-CHLORO-6-FLUORO-N-[2-[4-[(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL]ETHYL]-1-BENZOTHIOPHENE-2-CARBOXAMIDE, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA, octyl beta-D-glucopyranoside
著者Marquette, J.-P, Mathieu, M.
登録日2010-11-19
公開日2011-02-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (Ppar) Gamma / Delta Agonists with High Potency and in-Vivo Efficacy
Chemmedchem, 6, 2011
2XYX
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Novel Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (PPAR) gamma-delta Agonists with High Potency and In-vivo Efficacy
分子名称: 4-[2-[[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]AMINO]ETHYL]-N-(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)BENZENESULFONAMIDE, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA, octyl beta-D-glucopyranoside
著者Marquette, J.-P, Mathieu, M.
登録日2010-11-19
公開日2011-02-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (Ppar) Gamma / Delta Agonists with High Potency and in-Vivo Efficacy
Chemmedchem, 6, 2011
2ZK4
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Human peroxisome proliferator-activated receptor gamma ligand binding domain complexed with 15-oxo-eicosatetraenoic acid
分子名称: (5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid, Peroxisome proliferator-activated receptor gamma
著者Waku, T, Shiraki, T, Oyama, T, Fujimoto, Y, Morikawa, K.
登録日2008-03-12
公開日2009-02-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Structural insight into PPARgamma activation through covalent modification with endogenous fatty acids
J.Mol.Biol., 385, 2009
2XKW
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LIGAND BINDING DOMAIN OF HUMAN PPAR-GAMMA IN COMPLEX WITH THE AGONIST PIOGLITAZONE
分子名称: (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Mueller, J.J, Schupp, M, Unger, T, Kintscher, U, Heinemann, U.
登録日2010-07-14
公開日2011-08-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Binding Diversity of Pioglitazone by Peroxisome Proliferator-Activated Receptor-Gamma
To be Published
2ZK3
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Human peroxisome proliferator-activated receptor gamma ligand binding domain complexed with 8-oxo-eicosatetraenoic acid
分子名称: (5E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid, Peroxisome proliferator-activated receptor gamma
著者Waku, T, Shiraki, T, Oyama, T, Fujimoto, Y, Morikawa, K.
登録日2008-03-12
公開日2009-02-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Structural insight into PPARgamma activation through covalent modification with endogenous fatty acids
J.Mol.Biol., 385, 2009
2YAT
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Crystal structure of estradiol derived metal chelate and estrogen receptor-ligand binding domain complex
分子名称: ESTRADIOL-PYRIDINIUM TETRAACETIC ACID, ESTROGEN RECEPTOR, EUROPIUM ION, ...
著者Li, M.J, Greenblatt, H.M, Dym, O, Albeck, S, Degani, H, Sussman, J.L.
登録日2011-02-24
公開日2011-06-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Structure of Estradiol Metal Chelate and Estrogen Receptor Complex: The Basis for Designing a New Class of Selective Estrogen Receptor Modulators.
J.Med.Chem., 54, 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

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