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3K22
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BU of 3k22 by Molmil
Glucocorticoid Receptor with Bound alaninamide 10 with TIF2 peptide
分子名称: Glucocorticoid receptor, N-[(1R)-2-amino-1-methyl-2-oxoethyl]-3-(6-methyl-4-{[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino}-1H-indazol-1-yl)benzamide, Transcriptional Intermediary Factor 2, ...
著者Biggadike, K.B, McLay, I.M, Madauss, K.P, Williams, S.P, Bledsoe, R.K.
登録日2009-09-29
公開日2010-08-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design and x-ray crystal structures of high-potency nonsteroidal glucocorticoid agonists exploiting a novel binding site on the receptor.
Proc.Natl.Acad.Sci.USA, 106, 2009
3K23
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BU of 3k23 by Molmil
Glucocorticoid Receptor with Bound D-prolinamide 11
分子名称: 1-{[3-(4-{[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide, Glucocorticoid receptor, Nuclear receptor coactivator 2
著者Biggadike, K.B, McLay, I.M, Madauss, K.P, Williams, S.P, Bledsoe, R.K.
登録日2009-09-29
公開日2009-10-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Design and x-ray crystal structures of high-potency nonsteroidal glucocorticoid agonists exploiting a novel binding site on the receptor.
Proc.Natl.Acad.Sci.USA, 106, 2009
3K6P
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BU of 3k6p by Molmil
Estrogen Related Receptor alpha in Complex with an Ether Based Ligand
分子名称: 4-(4-{[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl}-2-methoxyphenoxy)-3-(trifluoromethyl)benzonitrile, Steroid hormone receptor ERR1
著者Abad, M.C, Patch, R.J.
登録日2009-10-09
公開日2010-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.996 Å)
主引用文献Development of Diaryl Ether based ligands for Estrogen Related Receptor alpha as Potential Anti-Diabetic Agents.
To be Published
3K8S
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BU of 3k8s by Molmil
Crystal Structure of PPARg in complex with T2384
分子名称: 2-chloro-N-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzenesulfonamide, Peroxisome proliferator-activated receptor gamma
著者Wang, Z.
登録日2009-10-14
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献T2384, a novel antidiabetic agent with unique peroxisome proliferator-activated receptor gamma binding properties
J.Biol.Chem., 283, 2008
5JJM
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BU of 5jjm by Molmil
Crystal Structure of Homodimeric Androgen Receptor Ligand-Binding Domain bound to DHT and LxxLL peptide
分子名称: 1,2-ETHANEDIOL, 5-ALPHA-DIHYDROTESTOSTERONE, ACETATE ION, ...
著者Estebanez-Perpina, E, Fuentes-Prior, P.
登録日2016-04-24
公開日2017-03-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of the homodimeric androgen receptor ligand-binding domain.
Nat Commun, 8, 2017
3JZB
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BU of 3jzb by Molmil
Crystal Structure of TR-alfa bound to the selective thyromimetic TRIAC
分子名称: THRA protein, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID
著者Nascimento, A.S, Dias, S.M.G, 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 (2.007 Å)
主引用文献Gaining ligand selectivity in thyroid hormone receptors via entropy.
Proc.Natl.Acad.Sci.USA, 106, 2009
3M7R
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BU of 3m7r by Molmil
Crystal structure of VDR H305Q mutant
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, Vitamin D3 receptor
著者Rochel, N, Hourai, S, Moras, D, Structural Proteomics in Europe (SPINE)
登録日2010-03-17
公開日2010-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of hereditary vitamin D-resistant rickets--associated mutant H305Q of vitamin D nuclear receptor bound to its natural ligand
J.Steroid Biochem.Mol.Biol., 121, 2010
5HJP
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BU of 5hjp by Molmil
Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease
分子名称: 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, DI(HYDROXYETHYL)ETHER, Oxysterols receptor LXR-beta, ...
著者Parthasarathy, G, Klein, D.
登録日2016-01-13
公開日2016-04-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease.
J.Med.Chem., 59, 2016
3MNO
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BU of 3mno by Molmil
Crystal structure of the agonist form of mouse glucocorticoid receptor stabilized by (A611V, F608S) mutations at 1.55A
分子名称: DEXAMETHASONE, GLYCEROL, Glucocorticoid receptor, ...
著者Schoch, G.A, Seitz, T, Benz, J, Banner, D, Stihle, M, D'Arcy, B, Thoma, R, Sterner, R, Hennig, M, Ruf, A.
登録日2010-04-22
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Enhancing the stability and solubility of the glucocorticoid receptor ligand-binding domain by high-throughput library screening.
J.Mol.Biol., 403, 2010
5JMM
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BU of 5jmm by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with biochanin A
分子名称: 1,2-ETHANEDIOL, 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one, Estrogen receptor, ...
著者Delfosse, V, Bourguet, W.
登録日2016-04-29
公開日2017-05-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of hERa-LBD (Y537S) in complex with biochanin A
To Be Published
5G44
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BU of 5g44 by Molmil
Ligand complex of RORg LBD
分子名称: (4-pyrimidin-5-ylphenyl)methanol, 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, ...
著者Xue, Y, Guo, H, Hillertz, P.
登録日2016-05-04
公開日2016-08-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments.
Chemmedchem, 11, 2016
5G46
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BU of 5g46 by Molmil
Ligand complex of RORg LBD
分子名称: 2-ETHYL-4(1H)-QUINOLINONE, NUCLEAR RECEPTOR ROR-GAMMA, RORG, ...
著者Xue, Y, Guo, H, Hillertz, P.
登録日2016-05-04
公開日2016-08-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments.
Chemmedchem, 11, 2016
5G45
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BU of 5g45 by Molmil
Ligand complex of RORg LBD
分子名称: 8-AMINO-3-QUINOLINOL, DIMETHYL SULFOXIDE, NUCLEAR RECEPTOR ROR-GAMMA, ...
著者Xue, Y, Guo, H, Hillertz, P.
登録日2016-05-04
公開日2016-08-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments.
Chemmedchem, 11, 2016
5HCV
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BU of 5hcv by Molmil
Identification of Spirooxindole and Dibenzoxazepine Motifs as Potent Mineralocorticoid Receptor Antagonists
分子名称: 6-[(~{E})-(3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{H}-1,4-benzoxazin-3-one, CHLORIDE ION, Mineralocorticoid receptor
著者Chen, G, McKeever, B.M.
登録日2016-01-04
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of spirooxindole and dibenzoxazepine motifs as potent mineralocorticoid receptor antagonists.
Bioorg.Med.Chem., 24, 2016
3MNP
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BU of 3mnp by Molmil
Crystal structure of the agonist form of mouse glucocorticoid receptor stabilized by (A611V, V708A, E711G) mutations at 1.50A
分子名称: DEXAMETHASONE, GLYCEROL, Glucocorticoid receptor, ...
著者Schoch, G.A, Seitz, T, Benz, J, Banner, D, Stihle, M, D'Arcy, B, Thoma, R, Sterner, R, Hennig, M, Ruf, A.
登録日2010-04-22
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Enhancing the stability and solubility of the glucocorticoid receptor ligand-binding domain by high-throughput library screening.
J.Mol.Biol., 403, 2010
3MNE
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BU of 3mne by Molmil
Crystal structure of the agonist form of mouse glucocorticoid receptor stabilized by F608S mutation at 1.96A
分子名称: DEXAMETHASONE, GLYCEROL, Glucocorticoid receptor, ...
著者Schoch, G.A, Seitz, T, Benz, J, Banner, D, Stihle, M, D'Arcy, B, Thoma, R, Sterner, R, Hennig, M, Ruf, A.
登録日2010-04-21
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Enhancing the stability and solubility of the glucocorticoid receptor ligand-binding domain by high-throughput library screening.
J.Mol.Biol., 403, 2010
5K38
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BU of 5k38 by Molmil
Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain
分子名称: Nuclear receptor ROR-gamma
著者Lu, J, Rastinejad, F.
登録日2016-05-19
公開日2017-05-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain
To be published
5K74
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BU of 5k74 by Molmil
Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with SBI0655870
分子名称: Nuclear receptor ROR-gamma, ~{N}-[[3-methyl-4-(4-methylsulfonylphenyl)phenyl]methyl]-~{N}-(2-methylpropyl)-1-phenyl-methanesulfonamide
著者Lu, J, Rastinejad, F.
登録日2016-05-25
公開日2017-05-31
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with SBI0655870
To be published
5IAW
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BU of 5iaw by Molmil
Novel natural FXR modulator with a unique binding mode
分子名称: (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2
著者Lu, Y, Li, Y.
登録日2016-02-22
公開日2017-03-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.58 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
3KPZ
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BU of 3kpz by Molmil
Crystal structure of a novel vitamin D3 analogue, ZK203278 showing dissociated profile
分子名称: (1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,5S)-5-hydroxy-1-methyl-5-(1,3-thiazol-2-yl)pentyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol, Vitamin D3 receptor
著者Rochel, N, Moras, D.
登録日2009-11-17
公開日2011-10-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a vitamin D3 analog, ZK203278, showing dissociated profile.
Anticancer Res., 32, 2012
3L3X
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BU of 3l3x by Molmil
Crystal structure of DHT-bound androgen receptor in complex with the first 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 (1.55 Å)
主引用文献Identification of SRC3/AIB1 as a Preferred Coactivator for Hormone-activated Androgen Receptor.
J.Biol.Chem., 285, 2010
5K3L
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BU of 5k3l by Molmil
Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with 444
分子名称: N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, Nuclear receptor ROR-gamma
著者Huang, P, Rastinejad, F.
登録日2016-05-19
公開日2017-05-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with 444
To be published
5KCC
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BU of 5kcc by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Oxabicyclic Heptene Sulfonamide (OBHS-N)
分子名称: (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2016-06-06
公開日2016-11-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.386 Å)
主引用文献Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
5JY3
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CRYSTAL STRUCTURE OF LXRbeta (NUCLEAR RECEPTOR SUBFAMILY 1, GROUP H, MEMBER 2) COMPLEXED WITH BMS-852927
分子名称: 1,4-BUTANEDIOL, 2-[2-[2-[2,6-bis(chloranyl)phenyl]propan-2-yl]-1-[2-fluoranyl-4-[3-fluoranyl-4-(hydroxymethyl)-5-methylsulfonyl-phenyl] phenyl]imidazol-4-yl]propan-2-ol, Oxysterols receptor LXR-beta
著者Muckelbauer, J.K.
登録日2016-05-13
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of Highly Potent Liver X Receptor beta Agonists.
ACS Med Chem Lett, 7, 2016
5K3N
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BU of 5k3n by Molmil
Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with ML209
分子名称: (3S)-3-(2H-1,3-benzodioxol-5-yl)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one, Nuclear receptor ROR-gamma
著者Huang, P, Rastinejad, F, Lu, J.
登録日2016-05-19
公開日2017-05-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.666 Å)
主引用文献Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with ML209
To be published

222926

件を2024-07-24に公開中

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