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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3E7C
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![BU of 3e7c by Molmil](/molmil-images/mine/3e7c) | Glucocorticoid Receptor LBD bound to GSK866 | Descriptor: | 5-amino-N-[(2S)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide, GLYCEROL, Glucocorticoid receptor, ... | Authors: | Madauss, K.P, Williams, S.P, Mclay, I, Stewart, E.L, Bledsoe, R.K. | Deposit date: | 2008-08-18 | Release date: | 2008-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The first X-ray crystal structure of the glucocorticoid receptor bound to a non-steroidal agonist. Bioorg.Med.Chem.Lett., 18, 2008
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3HQ5
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![BU of 3hq5 by Molmil](/molmil-images/mine/3hq5) | Progesterone Receptor bound to an Alkylpyrrolidine ligand. | Descriptor: | 2-chloro-4-{[(3S)-1-methylpyrrolidin-3-yl][2-(trifluoromethyl)benzyl]amino}benzonitrile, GLYCEROL, Progesterone receptor, ... | Authors: | Madauss, K.P, Williams, S.P, Washburn, D.G. | Deposit date: | 2009-06-05 | Release date: | 2010-03-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Rational design of orally-active, pyrrolidine-based progesterone receptor partial agonists. Bioorg.Med.Chem.Lett., 19, 2009
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3K23
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![BU of 3k23 by Molmil](/molmil-images/mine/3k23) | Glucocorticoid Receptor with Bound D-prolinamide 11 | Descriptor: | 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 | Authors: | Biggadike, K.B, McLay, I.M, Madauss, K.P, Williams, S.P, Bledsoe, R.K. | Deposit date: | 2009-09-29 | Release date: | 2009-10-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 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
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3K22
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![BU of 3k22 by Molmil](/molmil-images/mine/3k22) | Glucocorticoid Receptor with Bound alaninamide 10 with TIF2 peptide | Descriptor: | 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, ... | Authors: | Biggadike, K.B, McLay, I.M, Madauss, K.P, Williams, S.P, Bledsoe, R.K. | Deposit date: | 2009-09-29 | Release date: | 2010-08-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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
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3KBA
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![BU of 3kba by Molmil](/molmil-images/mine/3kba) | Progesterone receptor bound to sulfonamide pyrrolidine partial agonist | Descriptor: | 2-chloro-4-{(2-methylbenzyl)[(3S)-1-(methylsulfonyl)pyrrolidin-3-yl]amino}benzonitrile, Progesterone receptor, SULFATE ION | Authors: | Kallander, L.S, Washburn, D.G, Williams, S.P, Madauss, K.P. | Deposit date: | 2009-10-20 | Release date: | 2009-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Improving the developability profile of pyrrolidine progesterone receptor partial agonists. Bioorg.Med.Chem.Lett., 20, 2010
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3GD2
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![BU of 3gd2 by Molmil](/molmil-images/mine/3gd2) | isoxazole ligand bound to farnesoid X receptor (FXR) | Descriptor: | 3-[(E)-2-(2-chloro-4-{[3-{[(R)-(2,6-dichlorophenyl)(hydroxy)-lambda~4~-sulfanyl]methyl}-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid, Bile acid receptor, activator peptide | Authors: | Madauss, K.P, Williams, S.P, Deaton, D.N, Wisely, G.B, Mcfadyen, R.B. | Deposit date: | 2009-02-23 | Release date: | 2009-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Substituted isoxazole analogs of farnesoid X receptor (FXR) agonist GW4064. Bioorg.Med.Chem.Lett., 19, 2009
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3G8O
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![BU of 3g8o by Molmil](/molmil-images/mine/3g8o) | Progesterone Receptor with bound Pyrrolidine 1 | Descriptor: | N~2~-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-N~2~-(2,2,2-trifluoroethyl)-L-alaninamide, Progesterone receptor, SULFATE ION | Authors: | Thompson, S.K, Washburn, D.G, Madauss, K.P, Williams, S.P, Stewart, E.L. | Deposit date: | 2009-02-12 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rational design of orally-active, pyrrolidine-based progesterone receptor partial agonists. Bioorg.Med.Chem.Lett., 19, 2009
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