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2ZFX
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Crystal structure of the rat vitamin D receptor ligand binding domain complexed with YR301 and a synthetic peptide containing the NR2 box of DRIP 205
分子名称: (2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol, DRIP 205 NR2 box peptide, Vitamin D3 receptor
著者Kakuda, S, Takimoto-Kamimura, M.
登録日2008-01-15
公開日2009-01-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure of the ligand-binding domain of rat VDR in complex with the nonsecosteroidal vitamin D3 analogue YR301
Acta Crystallogr.,Sect.F, 64, 2008
2ZK5
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Human peroxisome proliferator-activated receptor gamma ligand binding domain complexed with nitro-233
分子名称: 3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic 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 (2.45 Å)
主引用文献Structural insight into PPARgamma activation through covalent modification with endogenous fatty acids
J.Mol.Biol., 385, 2009
3B67
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Crystal structure of the androgen receptor ligand binding domain in complex with SARM C-23
分子名称: (2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide, Androgen receptor
著者Bohl, C.E, Miller, D.D, Dalton, J.T.
登録日2007-10-27
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
3B65
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Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-24
分子名称: (2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide, Androgen receptor
著者Bohl, C.E, Miller, D.D, Dalton, J.T.
登録日2007-10-27
公開日2008-09-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
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
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
3AUQ
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Crystal structure of the human vitamin D receptor ligand binding domain complexed with Yne-diene type analog of active 14-epi-2alpha-methyl-19-norvitamin D3
分子名称: (1R,2S,3R)-5-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethynyl]-2-methyl-cyclohex-4-ene-1,3-diol, Vitamin D3 receptor
著者Kakuda, S, Takimoto-Kamimura, M.
登録日2011-02-15
公開日2011-09-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Development of 14-epi-19-nortachysterol and its unprecedented binding configuration for the human vitamin D receptor
J.Am.Chem.Soc., 133, 2011
3AUR
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Crystal structure of the human vitamin D receptor ligand binding domain complexed with Yne-diene type analog of active 14-epi-2beta-methyl-19-norvitamin D3
分子名称: (1R,2S,3R)-5-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethynyl]-2-methyl-cyclohex-4-ene-1,3-diol, Vitamin D3 receptor
著者Kakuda, S, Takimoto-Kamimura, M.
登録日2011-02-15
公開日2011-09-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Development of 14-epi-19-nortachysterol and its unprecedented binding configuration for the human vitamin D receptor
J.Am.Chem.Soc., 133, 2011
3B5R
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BU of 3b5r by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM C-31
分子名称: (2S)-3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide, Androgen receptor
著者Bohl, C.E, Miller, D.D, Dalton, J.T.
登録日2007-10-26
公開日2008-09-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
3BQD
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Doubling the Size of the Glucocorticoid Receptor Ligand Binding Pocket by Deacylcortivazol
分子名称: 1-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethanone, Glucocorticoid receptor, Nuclear receptor coactivator 1
著者Xu, H.E.
登録日2007-12-20
公開日2008-01-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Doubling the size of the glucocorticoid receptor ligand binding pocket by deacylcortivazol.
Mol.Cell.Biol., 28, 2008
2Z4J
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Crystal structure of AR LBD with SHP peptide NR Box 2
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Nuclear receptor 0B2
著者Jouravel, N, Fletterick, R.J.
登録日2007-06-19
公開日2007-12-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Interaction between the androgen receptor and a segment of its corepressor SHP
Acta Crystallogr.,Sect.D, 63, 2007
2ZMH
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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-{(1R,2E,4R)-4-hydroxy-1-methyl-4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]but-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
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2008-04-18
公開日2008-09-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 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
2ZNN
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Human PPAR alpha ligand binding domain in complex with a synthetic agonist TIPP703
分子名称: (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid, Peroxisome proliferator-activated receptor alpha
著者Oyama, T, Toyota, K, Kasuga, J, Miyachi, H, Morikawa, K.
登録日2008-04-30
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
2ZLA
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2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation and crystal structure
分子名称: (1R,2S,3R,5Z,7E)-17-{(1R)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol, Coactivator peptide DRIP, Vitamin D3 receptor
著者Shimizu, M, Miyamoto, Y, Nakabayashi, M, Masuno, H, Ikura, T, Ito, N.
登録日2008-04-04
公開日2008-06-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation, and crystal structure
Bioorg.Med.Chem., 16, 2008
2ZNP
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Human PPAR delta ligand binding domain in complex with a synthetic agonist TIPP204
分子名称: (2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside
著者Oyama, T, Hirakawa, Y, Nagasawa, N, Miyachi, H, Morikawa, K.
登録日2008-04-30
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
2ZK6
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Human peroxisome proliferator-activated receptor gamma ligand binding domain complexed with C8-BODIPY
分子名称: Peroxisome proliferator-activated receptor gamma, difluoro(5-{2-[(5-octyl-1H-pyrrol-2-yl-kappaN)methylidene]-2H-pyrrol-5-yl-kappaN}pentanoato)boron
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 (2.41 Å)
主引用文献The nuclear receptor PPARgamma individually responds to serotonin- and fatty acid-metabolites
Embo J., 29, 2010
2ZMJ
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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-6-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
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 (2.35 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
2ZNO
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Human PPAR gamma ligand binding domain in complex with a synthetic agonist TIPP703
分子名称: (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid, Peroxisome proliferator-activated receptor gamma
著者Oyama, T, Waku, T, Kasuga, J, Miyachi, H, Morikawa, K.
登録日2008-04-30
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
2ZVT
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Cys285Ser mutant PPARgamma 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, Oyama, T, Shiraki, T, Morikawa, K.
登録日2008-11-19
公開日2009-10-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Atomic structure of mutant PPARgamma LBD complexed with 15d-PGJ2: novel modulation mechanism of PPARgamma/RXRalpha function by covalently bound ligands
Febs Lett., 583, 2009
3CDP
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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
3AN3
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Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO3S
分子名称: (2S)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Oyama, T, Ohashi, M, Waku, T, Miyachi, H, Morikawa, K.
登録日2010-08-30
公開日2011-07-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship
J.Med.Chem., 54, 2011
3AN4
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Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO4R
分子名称: (2R)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Oyama, T, Ohashi, M, Waku, T, Miyachi, H, Morikawa, K.
登録日2010-08-30
公開日2011-07-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship
J.Med.Chem., 54, 2011
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
3ADV
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BU of 3adv by Molmil
Human PPARgamma ligand-binding domain in complex with serotonin
分子名称: Peroxisome proliferator-activated receptor gamma, SEROTONIN
著者Waku, T, Shiraki, T, Oyama, T, Morikawa, K.
登録日2010-01-29
公開日2010-12-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献The nuclear receptor PPARgamma individually responds to serotonin- and fatty acid-metabolites
Embo J., 29, 2010
3CQV
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Crystal structure of Reverb beta in complex with heme
分子名称: Nuclear receptor subfamily 1 group D member 2, PROTOPORPHYRIN IX CONTAINING FE
著者Xu, X, Dong, A, Pardee, K.I, Reinking, J, Krause, H, Schuetz, A, Zhang, R, Cui, H, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Savchenko, A, Botchkarev, A, Structural Genomics Consortium (SGC)
登録日2008-04-03
公開日2008-08-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structural basis of gas-responsive transcription by the human nuclear hormone receptor REV-ERBbeta.
Plos Biol., 7, 2009

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