1SQN
| Progesterone Receptor Ligand Binding Domain with bound Norethindrone | Descriptor: | (14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one, progesterone receptor | Authors: | Williams, S.P, Madauss, K.P, Deng, J.-S, Austin, R.J.H, Lambert, M.H, McLay, I, Pritchard, J, Short, S.A, Stewart, E.L, Uings, I.J. | Deposit date: | 2004-03-19 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.451 Å) | Cite: | Progesterone receptor ligand binding pocket flexibility: crystal structures of the norethindrone and mometasone furoate complexes J.Med.Chem., 47, 2004
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1SR7
| Progesterone Receptor Hormone Binding Domain with Bound Mometasone Furoate | Descriptor: | GLYCEROL, MOMETASONE FUROATE, Progesterone receptor, ... | Authors: | Madauss, K.P, Deng, S.-J, Austin, R.J, Lambert, M.H, McLay, I, Pritchard, J, Short, S.A, Stewart, E.L, Uings, I.J, Williams, S.P. | Deposit date: | 2004-03-22 | Release date: | 2004-06-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Progesterone receptor ligand binding pocket flexibility: crystal structures of the norethindrone and mometasone furoate complexes J.Med.Chem., 47, 2004
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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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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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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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4C67
| Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains | Descriptor: | 1,2-ETHANEDIOL, 13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Chung, C, Mirguet, O. | Deposit date: | 2013-09-17 | Release date: | 2013-10-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of Epigenetic Regulator I-Bet762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the Bet Bromodomains. J.Med.Chem., 56, 2013
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4C66
| Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains | Descriptor: | 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Chung, C, Mirguet, O. | Deposit date: | 2013-09-17 | Release date: | 2013-10-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Discovery of Epigenetic Regulator I-Bet762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the Bet Bromodomains. J.Med.Chem., 56, 2013
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2YEL
| Crystal Structure of the First Bromodomain of Human Brd4 with the inhibitor GW841819X | Descriptor: | 1,2-ETHANEDIOL, BENZYL [(4R)-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]CARBAMATE, HUMAN BRD4 | Authors: | Chung, C.W. | Deposit date: | 2011-03-25 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery and Characterization of Small Molecule Inhibitors of the Bet Family Bromodomains. J.Med.Chem., 54, 2011
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2YEM
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2YDW
| Crystal Structure of the First Bromodomain of Human Brd2 with the inhibitor GW841819X | Descriptor: | BENZYL [(4R)-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]CARBAMATE, BROMODOMAIN-CONTAINING PROTEIN 2, SULFATE ION | Authors: | Chung, C, Delves, C, Woodward, R, Mirguet, O, Nicodeme, E. | Deposit date: | 2011-03-24 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Characterization of Small Molecule Inhibitors of the Bet Family Bromodomains. J.Med.Chem., 54, 2011
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2YEK
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5N7T
| Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5,6-dichloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid | Descriptor: | 3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Rowland, P. | Deposit date: | 2017-02-21 | Release date: | 2017-06-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | The discovery of potent and selective kynurenine 3-monooxygenase inhibitors for the treatment of acute pancreatitis. Bioorg. Med. Chem. Lett., 27, 2017
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