5FPA
 
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5FP9
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5ACY
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1-(2R,4S)-2-methyl-4-(phenylamino)-6-4-(piperidin-1-ylmethyl)phenyl-1,2,3,4- tetrahydroquinolin-1-yl-ethan-1-one | | 分子名称: | 1,2-ETHANEDIOL, 1-[(2S,4R)-2-methyl-4-(phenylamino)-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydroquinolin-1(2H)-yl]ethanone, BROMODOMAIN-CONTAINING PROTEIN 4 | | 著者 | Chung, C. | | 登録日 | 2015-08-18 | | 公開日 | 2015-10-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Autism-Like Syndrome is Induced by Pharmacological Suppression of Bet Proteins in Young Mice.
J.Exp.Med., 212, 2015
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4ASK
 | | CRYSTAL STRUCTURE OF JMJD3 WITH GSK-J1 | | 分子名称: | 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ... | | 著者 | Chung, C, Mosley, J, Liddle, J. | | 登録日 | 2012-05-01 | | 公開日 | 2012-07-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
Nature, 488, 2012
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4AWI
 | | Human Jnk1alpha kinase with 4-phenyl-7-azaindole IKK2 inhibitor. | | 分子名称: | MITOGEN-ACTIVATED PROTEIN KINASE 8, N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-4-[2-(1-methylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide, SULFATE ION | | 著者 | Chung, C, Vicentini, G, Liddle, J, Bamborough, P. | | 登録日 | 2012-06-03 | | 公開日 | 2013-05-01 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | 4-Phenyl-7-Azaindoles as Potent, Selective and Bioavailable Ikk2 Inhibitors Demonstrating Good in Vivo Efficacy.
Bioorg.Med.Chem.Lett., 22, 2012
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4C66
 | | Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains | | 分子名称: | 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 | | 著者 | Chung, C, Mirguet, O. | | 登録日 | 2013-09-17 | | 公開日 | 2013-10-02 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | 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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4CFK
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH LY294002 | | 分子名称: | 1,2-ETHANEDIOL, 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE, BRD4 PROTEIN, ... | | 著者 | Chung, C, Dittmann, A, Drewes, G. | | 登録日 | 2013-11-18 | | 公開日 | 2014-01-15 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | The Commonly Used Pi3-Kinase Probe Ly294002 is an Inhibitor of Bet Bromodomains.
Acs Chem.Biol., 9, 2014
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5G4R
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5G4S
 | | BROMODOMAIN OF HUMAN BRPF1 WITH N-1,3-dimethyl-6-2R-2- methylpiperazin-1-yl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl-N- ethyl-2-methoxybenzamide | | 分子名称: | 1,2-ETHANEDIOL, N-[1,3-dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-N-ethyl-2-methoxy-benzamide, PEREGRIN | | 著者 | Chung, C. | | 登録日 | 2016-05-16 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Gsk6853, a Chemical Probe for Inhibition of the Brpf1 Bromodomain.
Acs Med.Chem.Lett., 7, 2016
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4CFL
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH LY303511 | | 分子名称: | 1,2-ETHANEDIOL, 8-phenyl-2-piperazin-1-yl-chromen-4-one, BRD4 PROTEIN, ... | | 著者 | Chung, C, Dittmann, A, Drewes, G. | | 登録日 | 2013-11-18 | | 公開日 | 2014-01-15 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | The Commonly Used Pi3-Kinase Probe Ly294002 is an Inhibitor of Bet Bromodomains.
Acs Chem.Biol., 9, 2014
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4C67
 | | Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains | | 分子名称: | 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 | | 著者 | Chung, C, Mirguet, O. | | 登録日 | 2013-09-17 | | 公開日 | 2013-10-02 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | 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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3P5O
 | | Crystal Structure of the First Bromodomain of Human Brd4 in complex with IBET inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide, Bromodomain-containing protein 4 | | 著者 | Chung, C. | | 登録日 | 2010-10-09 | | 公開日 | 2010-11-17 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Suppression of inflammation by a synthetic histone mimic
Nature, 468, 2010
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4BJX
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH GSK1324726A (I-BET726) | | 分子名称: | 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, BROMODOMAIN-CONTAINING PROTEIN 4 | | 著者 | Chung, C. | | 登録日 | 2013-04-20 | | 公開日 | 2013-10-02 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Bet Inhibition Silences Expression of Mycn and Bcl2 and Induces Cytotoxicity in Neuroblastoma Tumor Models.
Plos One, 8, 2013
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4CLB
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH IBET-295 | | 分子名称: | 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4, propan-2-yl N-[(2S,4R)-1-ethanoyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate | | 著者 | Chung, C, Atkinson, S. | | 登録日 | 2014-01-13 | | 公開日 | 2014-12-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The Structure Based Design of Dual Hdac/Bet Inhibitors as Novel Epigenetic Probes.
Medchemcomm, 5, 2014
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4BW1
 | | The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand | | 分子名称: | 1,2-ETHANEDIOL, 4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4 | | 著者 | Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E. | | 登録日 | 2013-06-29 | | 公開日 | 2013-09-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
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4BW3
 | | The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand | | 分子名称: | 1,2-ETHANEDIOL, 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4 | | 著者 | Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E. | | 登録日 | 2013-06-29 | | 公開日 | 2013-09-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
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4AKN
 | | N-Terminal Bromodomain of Human BRD2 With tbutyl-phenyl-amino- dimethyl-oxazolyl-quinoline-carboxylic acid | | 分子名称: | 1,2-ETHANEDIOL, 4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 2, ... | | 著者 | Chung, C, Lamotte, Y, Donche, F, Bouillot, A, Mirguet, O. | | 登録日 | 2012-02-26 | | 公開日 | 2012-07-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Identification of a Novel Series of Bet Family Bromodomain Inhibitors: Binding Mode and Profile of I-Bet151 (Gsk1210151A).
Bioorg.Med.Chem.Lett., 22, 2012
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4BW4
 | | The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand | | 分子名称: | 7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-1-(2-(trifluoromethoxy)phenyl)-1h-imidazo[4,5-c][1,5]naphthyridin-2(3h)-one, BROMODOMAIN-CONTAINING PROTEIN 4 | | 著者 | Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E. | | 登録日 | 2013-06-29 | | 公開日 | 2013-09-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
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4ALG
 | | N-Terminal Bromodomain of Human BRD2 With IBET-151 | | 分子名称: | 7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-1-[(1R)-1-(PYRIDIN-2-YL)ETHYL]-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-2-ONE, ACETATE ION, BROMODOMAIN-CONTAINING PROTEIN 2, ... | | 著者 | Chung, C, Lamotte, Y, Donche, F, Bouillot, A, Mirguet, O. | | 登録日 | 2012-03-03 | | 公開日 | 2012-07-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Identification of a Novel Series of Bet Family Bromodomain Inhibitors: Binding Mode and Profile of I-Bet151 (Gsk1210151A).
Bioorg.Med.Chem.Lett., 22, 2012
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4CL9
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH I-BET295 | | 分子名称: | 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4, propan-2-yl N-[(2S,4R)-1-ethanoyl-2-methyl-6-[4-[[8-(oxidanylamino)-8-oxidanylidene-octanoyl]amino]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate | | 著者 | Chung, C, Atkinson, S. | | 登録日 | 2014-01-13 | | 公開日 | 2014-12-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | The Structure Based Design of Dual Hdac/Bet Inhibitors as Novel Epigenetic Probes.
Medchemcomm, 5, 2014
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4BW2
 | | The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand | | 分子名称: | 1,2-ETHANEDIOL, 4-((2-(TERT-BUTYL)PHENYL)AMINO)-7-(3,5-dimethylisoxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4 | | 著者 | Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E. | | 登録日 | 2013-06-29 | | 公開日 | 2013-09-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
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1SO2
 | | CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 3B In COMPLEX WITH A DIHYDROPYRIDAZINE INHIBITOR | | 分子名称: | 1-DEOXY-1-[(2-HYDROXYETHYL)(NONANOYL)AMINO]HEXITOL, 6-(4-{[2-(3-IODOBENZYL)-3-OXOCYCLOHEX-1-EN-1-YL]AMINO}PHENYL)-5-METHYL-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE, MAGNESIUM ION, ... | | 著者 | Scapin, G, Patel, S.B, Chung, C, Varnerin, J.P, Edmondson, S.D, Mastracchio, A, Parmee, E.R, Becker, J.W, Singh, S.B, Van Der Ploeg, L.H, Tota, M.R. | | 登録日 | 2004-03-12 | | 公開日 | 2004-05-11 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal Structure of Human Phosphodiesterase 3B: Atomic Basis for Substrate and Inhibitor Specificity
Biochemistry, 43, 2004
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1SOJ
 | | CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 3B IN COMPLEX WITH IBMX | | 分子名称: | 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, cGMP-inhibited 3',5'-cyclic phosphodiesterase B | | 著者 | Scapin, G, Patel, S.B, Chung, C, Varnerin, J.P, Edmondson, S.D, Mastracchio, A, Parmee, E.R, Becker, J.W, Singh, S.B, Van Der Ploeg, L.H, Tota, M.R. | | 登録日 | 2004-03-15 | | 公開日 | 2004-05-11 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal Structure of Human Phosphodiesterase 3B: Atomic Basis for Substrate and Inhibitor Specificity
Biochemistry, 43, 2004
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4UYD
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-dimethyl-2-oxo-2,3- dihydro-1H-1,3-benzodiazole-5-carboxamide | | 分子名称: | 1,2-ETHANEDIOL, 1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide, BROMODOMAIN-CONTAINING PROTEIN 4, ... | | 著者 | Chung, C, Bamborough, P, Demont, E. | | 登録日 | 2014-08-30 | | 公開日 | 2014-09-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | 1,3-Dimethyl Benzimidazolones are Potent, Selective Inhibitors of the Brpf1 Bromodomain.
Acs Med.Chem.Lett., 5, 2014
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7NQ5
 | | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 3-(2-(benzyloxy)phenyl)-5-methyl-1H-1,2,4-triazole | | 分子名称: | 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole, ... | | 著者 | Chung, C. | | 登録日 | 2021-03-01 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Template-Hopping Approach Leads to Potent, Selective, and Highly Soluble Bromo and Extraterminal Domain (BET) Second Bromodomain (BD2) Inhibitors.
J.Med.Chem., 64, 2021
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