3P89
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![BU of 3p89 by Molmil](/molmil-images/mine/3p89) | FXR bound to a quinolinecarboxylic acid | Descriptor: | 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid, Farnesoid X receptor, Nuclear receptor coactivator 1, ... | Authors: | Madauss, K.P, Williams, S.P, Deaton, D.N. | Deposit date: | 2010-10-13 | Release date: | 2011-08-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene. Bioorg.Med.Chem.Lett., 21, 2011
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3P88
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![BU of 3p88 by Molmil](/molmil-images/mine/3p88) | FXR bound to isoquinolinecarboxylic acid | Descriptor: | 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid, Farnesoid X receptor, Nuclear receptor coactivator 1, ... | Authors: | Madauss, K.P, Williams, S.P, Deaton, D.N. | Deposit date: | 2010-10-13 | Release date: | 2011-08-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene. Bioorg.Med.Chem.Lett., 21, 2011
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3OZJ
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![BU of 3ozj by Molmil](/molmil-images/mine/3ozj) | Crystal structure of human retinoic X receptor alpha complexed with bigelovin and coactivator SRC-1 | Descriptor: | (3aR,4S,4aR,7aR,8R,9aS)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate, Retinoic acid receptor RXR-alpha, SRC-1, ... | Authors: | Zhang, H, Li, L, Chen, L, Hu, L, Shen, X. | Deposit date: | 2010-09-25 | Release date: | 2011-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure basis of bigelovin as a selective RXR agonist with a distinct binding mode J.Mol.Biol., 407, 2011
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3OOK
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![BU of 3ook by Molmil](/molmil-images/mine/3ook) | |
3OOF
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![BU of 3oof by Molmil](/molmil-images/mine/3oof) | |
3OMQ
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![BU of 3omq by Molmil](/molmil-images/mine/3omq) | Fragment-Based Design of novel Estrogen Receptor Ligands | Descriptor: | 2-[(trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-6-ol, Estrogen receptor beta, Nuclear receptor coactivator 1 | Authors: | Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L. | Deposit date: | 2010-08-27 | Release date: | 2011-03-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach. J.Med.Chem., 54, 2011
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3OMP
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![BU of 3omp by Molmil](/molmil-images/mine/3omp) | Fragment-Based Design of novel Estrogen Receptor Ligands | Descriptor: | 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol, Estrogen receptor beta, Nuclear receptor coactivator 1 | Authors: | Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L. | Deposit date: | 2010-08-27 | Release date: | 2011-03-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach. J.Med.Chem., 54, 2011
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3OMO
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![BU of 3omo by Molmil](/molmil-images/mine/3omo) | Fragment-Based Design of novel Estrogen Receptor Ligands | Descriptor: | 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ol, Estrogen receptor beta, Nuclear receptor coactivator 1 | Authors: | Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L. | Deposit date: | 2010-08-27 | Release date: | 2011-03-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach. J.Med.Chem., 54, 2011
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3OMM
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![BU of 3omm by Molmil](/molmil-images/mine/3omm) | |
3OMK
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![BU of 3omk by Molmil](/molmil-images/mine/3omk) | |
3OLS
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![BU of 3ols by Molmil](/molmil-images/mine/3ols) | Crystal structure of estrogen receptor beta ligand binding domain | Descriptor: | ESTRADIOL, Estrogen receptor beta, Nuclear receptor coactivator 1 | Authors: | Moecklinghoff, S, Rose, R, Carraz, M, Visser, A, Ottmann, C, Brunsveld, L. | Deposit date: | 2010-08-26 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synthesis and crystal structure of a phosphorylated estrogen receptor ligand binding domain. Chembiochem, 11, 2010
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3OLL
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![BU of 3oll by Molmil](/molmil-images/mine/3oll) | Crystal structure of phosphorylated estrogen receptor beta ligand binding domain | Descriptor: | ESTRADIOL, Estrogen receptor beta, Nuclear receptor coactivator 1 | Authors: | Moecklinghoff, S, Rose, R, Ottmann, C, Brunsveld, L. | Deposit date: | 2010-08-26 | Release date: | 2010-11-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Synthesis and crystal structure of a phosphorylated estrogen receptor ligand binding domain. Chembiochem, 11, 2010
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3OLF
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![BU of 3olf by Molmil](/molmil-images/mine/3olf) | |
3OKI
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![BU of 3oki by Molmil](/molmil-images/mine/3oki) | |
3OKH
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![BU of 3okh by Molmil](/molmil-images/mine/3okh) | |
3OAP
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![BU of 3oap by Molmil](/molmil-images/mine/3oap) | Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 9-cis retinoic acid and the coactivator peptide GRIP-1 | Descriptor: | (9cis)-retinoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Xia, G, Smith, C.D, Muccio, D.D. | Deposit date: | 2010-08-05 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure, Energetics and Dynamics of Binding Coactivator Peptide to Human Retinoid X Receptor Alpha Ligand Binding Domain Complex with 9-cis-Retinoic Acid. Biochemistry, 50, 2011
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3O1E
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![BU of 3o1e by Molmil](/molmil-images/mine/3o1e) | Structure-function of Gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097. | Descriptor: | (1R,3R,7E,17beta)-17-[(1R)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1 0-secoestra-5,7-diene-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A | Authors: | Huet, T, Moras, D, Rochel, N. | Deposit date: | 2010-07-21 | Release date: | 2011-07-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5001 Å) | Cite: | Structure-function study of gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097. Medchemcomm, 2, 2011
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3O1D
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![BU of 3o1d by Molmil](/molmil-images/mine/3o1d) | Structure-function study of Gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097. | Descriptor: | (1R,3R,7E,17beta)-17-[(1S)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,10-secoestra-5,7-diene-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A | Authors: | Huet, T, Moras, D, Rochel, N. | Deposit date: | 2010-07-21 | Release date: | 2011-07-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4007 Å) | Cite: | Structure-function study of gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097. Medchemcomm, 2, 2011
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3LMP
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![BU of 3lmp by Molmil](/molmil-images/mine/3lmp) | Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator | Descriptor: | (9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peptide of Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | Authors: | Matsui, Y, Hanzawa, H. | Deposit date: | 2010-01-31 | Release date: | 2010-04-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a novel selective PPARgamma modulator from (-)-Cercosporamide derivatives Bioorg.Med.Chem.Lett., 20, 2010
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3L03
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![BU of 3l03 by Molmil](/molmil-images/mine/3l03) | Crystal Structure of human Estrogen Receptor alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II peptide and Estetrol (Estra-1,3,5(10)-triene-3,15 alpha,16alpha,17beta-tetrol) | Descriptor: | (14beta,15alpha,16alpha,17alpha)-estra-1,3,5(10)-triene-3,15,16,17-tetrol, CHLORIDE ION, Estrogen receptor, ... | Authors: | Rajan, S.S, Kim, Y, Vanek, K, Joachimiak, A, Greene, G.L. | Deposit date: | 2009-12-09 | Release date: | 2010-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.896 Å) | Cite: | Crystal Structure of human Estrogen Receptor alpha Ligand-Binding Domain
in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II
peptide and Estra-1,3,5(10)-triene-3,15 alpha,16alpha,17beta-tetrol To be Published
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3H82
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![BU of 3h82 by Molmil](/molmil-images/mine/3h82) | Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains with the artificial ligand THS020 | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(furan-2-ylmethyl)-2-nitro-4-(trifluoromethyl)aniline | Authors: | Key, J.M, Scheuermann, T.H, Anderson, P.C, Daggett, V, Gardner, K.H. | Deposit date: | 2009-04-28 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Principles of ligand binding within a completely buried cavity in HIF2alpha PAS-B J.Am.Chem.Soc., 131, 2009
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3H7W
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![BU of 3h7w by Molmil](/molmil-images/mine/3h7w) | Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains with the artificial ligand THS017 | Descriptor: | 2-nitro-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)aniline, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | Authors: | Key, J.M, Scheuermann, T.H, Anderson, P.C, Daggett, V, Gardner, K.H. | Deposit date: | 2009-04-28 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Principles of ligand binding within a completely buried cavity in HIF2alpha PAS-B J.Am.Chem.Soc., 131, 2009
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3F1P
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![BU of 3f1p by Molmil](/molmil-images/mine/3f1p) | Crystal structure of a high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | Authors: | Scheuermann, T.H, Tomchick, D.R, Machius, M, Guo, Y, Bruick, R.K, Gardner, K.H. | Deposit date: | 2008-10-28 | Release date: | 2009-01-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Artificial ligand binding within the HIF2alpha PAS-B domain of the HIF2 transcription factor. Proc.Natl.Acad.Sci.USA, 106, 2009
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3F1O
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![BU of 3f1o by Molmil](/molmil-images/mine/3f1o) | Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains, with an internally-bound artificial ligand | Descriptor: | 1,2-ETHANEDIOL, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, ... | Authors: | Scheuermann, T.H, Tomchick, D.R, Machius, M, Guo, Y, Bruick, R.K, Gardner, K.H. | Deposit date: | 2008-10-28 | Release date: | 2009-01-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.598 Å) | Cite: | Artificial ligand binding within the HIF2alpha PAS-B domain of the HIF2 transcription factor. Proc.Natl.Acad.Sci.USA, 106, 2009
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3F1N
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![BU of 3f1n by Molmil](/molmil-images/mine/3f1n) | Crystal structure of a high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains, with internally bound ethylene glycol. | Descriptor: | 1,2-ETHANEDIOL, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | Authors: | Scheuermann, T.H, Tomchick, D.R, Machius, M, Guo, Y, Bruick, R.K, Gardner, K.H. | Deposit date: | 2008-10-28 | Release date: | 2009-01-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.479 Å) | Cite: | Artificial ligand binding within the HIF2alpha PAS-B domain of the HIF2 transcription factor. Proc.Natl.Acad.Sci.USA, 106, 2009
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