4F3I
 
 | | Crystal structure of the first bromodomain of human BRD4 in complex with MS417 inhibitor | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate | | 著者 | Joshua, J, Zhou, M.-M, Plotnikov, A.N. | | 登録日 | 2012-05-09 | | 公開日 | 2012-09-12 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Down-regulation of NF-{kappa}B Transcriptional Activity in HIV-associated Kidney Disease by BRD4 Inhibition.
J.Biol.Chem., 287, 2012
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1N72
 | | Structure and Ligand of a Histone Acetyltransferase Bromodomain | | 分子名称: | HISTONE ACETYLTRANSFERASE | | 著者 | Dhalluin, C, Carlson, J.E, Zeng, L, He, C, Aggarwal, A.K, Zhou, M.-M. | | 登録日 | 2002-11-12 | | 公開日 | 2002-12-11 | | 最終更新日 | 2022-02-23 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure and Ligand of a Histone Acetyltransferase Bromodomain
Nature, 399, 1999
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1JM4
 | | NMR Structure of P/CAF Bromodomain in Complex with HIV-1 Tat Peptide | | 分子名称: | HIV-1 Tat Peptide, P300/CBP-associated Factor | | 著者 | Mujtaba, S, He, Y, Zeng, L, Farooq, A, Carlson, J.E, Ott, M, Verdin, E, Zhou, M.-M. | | 登録日 | 2001-07-17 | | 公開日 | 2002-07-17 | | 最終更新日 | 2023-11-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural basis of lysine-acetylated HIV-1 Tat recognition by PCAF bromodomain
Mol.Cell, 9, 2002
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1JSP
 | | NMR Structure of CBP Bromodomain in complex with p53 peptide | | 分子名称: | CREB-BINDING PROTEIN, tumor protein p53 | | 著者 | He, Y, Mujtaba, S, Zeng, L, Yan, S, Zhou, M.-M. | | 登録日 | 2001-08-17 | | 公開日 | 2002-08-17 | | 最終更新日 | 2023-11-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural mechanism of the bromodomain of the coactivator CBP in p53 transcriptional activation.
Mol.Cell, 13, 2004
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6PS9
 | | Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 17 (5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one) | | 分子名称: | 5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one, Bromodomain-containing protein 4 | | 著者 | Ilyichova, O.V, Scanlon, M.J. | | 登録日 | 2019-07-12 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Synthesis and elaboration of N-methylpyrrolidone as an acetamide fragment substitute in bromodomain inhibition.
Bioorg.Med.Chem., 27, 2019
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6PSB
 | | Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 18 (5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one) | | 分子名称: | 5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one, Bromodomain-containing protein 4 | | 著者 | Ilyichova, O.V, Scanlon, M.J. | | 登録日 | 2019-07-12 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Synthesis and elaboration of N-methylpyrrolidone as an acetamide fragment substitute in bromodomain inhibition.
Bioorg.Med.Chem., 27, 2019
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2R0Y
 | | Structure of the Rsc4 tandem bromodomain in complex with an acetylated H3 peptide | | 分子名称: | Chromatin structure-remodeling complex protein RSC4, Histone H3 peptide | | 著者 | VanDemark, A.P, Kasten, M.M, Ferris, E, Heroux, A, Hill, C.P, Cairns, B.R. | | 登録日 | 2007-08-21 | | 公開日 | 2007-10-30 | | 最終更新日 | 2017-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Autoregulation of the rsc4 tandem bromodomain by gcn5 acetylation.
Mol.Cell, 27, 2007
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6Q3Y
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16i | | 分子名称: | (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-(phenylmethyl)-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | 著者 | Heidenreich, D, Watts, E, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S, Hoelder, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-12-04 | | 公開日 | 2019-03-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity.
J.Med.Chem., 62, 2019
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2R0V
 | | Structure of the Rsc4 tandem bromodomain acetylated at K25 | | 分子名称: | Chromatin structure-remodeling complex protein RSC4, SULFATE ION | | 著者 | VanDemark, A.P, Kasten, M.M, Ferris, E, Heroux, A, Hill, C.P, Cairns, B.R. | | 登録日 | 2007-08-21 | | 公開日 | 2007-10-30 | | 最終更新日 | 2017-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Autoregulation of the rsc4 tandem bromodomain by gcn5 acetylation.
Mol.Cell, 27, 2007
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8K14
 | | X-ray crystal structure of 18a in BRD4(1) | | 分子名称: | 4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 4 | | 著者 | Xu, H, Shen, H, Zhang, Y, Xu, Y, Li, R. | | 登録日 | 2023-07-10 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Discovery of (R)-4-(8-methoxy-2-methyl-1-(1-phenylethy)-1H-imidazo[4,5-c]quinnolin-7-yl)-3,5-dimethylisoxazole as a potent and selective BET inhibitor for treatment of acute myeloid leukemia (AML) guided by FEP calculation.
Eur.J.Med.Chem., 263, 2024
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2R10
 | | Structure of an acetylated Rsc4 tandem bromodomain Histone Chimera | | 分子名称: | 1,2-ETHANEDIOL, Chromatin structure-remodeling complex protein RSC4, LINKER, ... | | 著者 | VanDemark, A.P, Kasten, M.M, Ferris, E, Heroux, A, Hill, C.P, Cairns, B.R. | | 登録日 | 2007-08-21 | | 公開日 | 2007-10-30 | | 最終更新日 | 2017-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Autoregulation of the rsc4 tandem bromodomain by gcn5 acetylation.
Mol.Cell, 27, 2007
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1EQF
 | | CRYSTAL STRUCTURE OF THE DOUBLE BROMODOMAIN MODULE FROM HUMAN TAFII250 | | 分子名称: | RNA POLYMERASE II TRANSCRIPTION INITIATION FACTOR, SULFATE ION | | 著者 | Jacobson, R.H, Ladurner, A.G, King, D.S, Tjian, R. | | 登録日 | 2000-04-04 | | 公開日 | 2000-06-07 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure and function of a human TAFII250 double bromodomain module.
Science, 288, 2000
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1E6I
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1F68
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1WUG
 | | complex structure of PCAF bromodomain with small chemical ligand NP1 | | 分子名称: | Histone acetyltransferase PCAF, N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | | 著者 | Zeng, L, Li, J, Muller, M, Yan, S, Mujtaba, S, Pan, C, Wang, Z, Zhou, M.M. | | 登録日 | 2004-12-07 | | 公開日 | 2005-08-16 | | 最終更新日 | 2022-03-02 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Selective small molecules blocking HIV-1 Tat and coactivator PCAF association
J.Am.Chem.Soc., 127, 2005
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1WUM
 | | Complex structure of PCAF bromodomain with small chemical ligand NP2 | | 分子名称: | Histone acetyltransferase PCAF, N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | | 著者 | Zeng, L, Li, J, Muller, M, Yan, S, Mujtaba, S, Pan, C, Wang, Z, Zhou, M.M. | | 登録日 | 2004-12-08 | | 公開日 | 2005-08-16 | | 最終更新日 | 2022-03-02 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Selective small molecules blocking HIV-1 Tat and coactivator PCAF association
J.Am.Chem.Soc., 127, 2005
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3U5L
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a benzo-triazepine ligand (BzT-7) | | 分子名称: | 1,2-ETHANEDIOL, 8-chloro-1,4-dimethyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine, Bromodomain-containing protein 4 | | 著者 | Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2011-10-11 | | 公開日 | 2011-11-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Benzodiazepines and benzotriazepines as protein interaction inhibitors targeting bromodomains of the BET family.
Bioorg.Med.Chem., 20, 2012
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3U5K
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with Midazolam | | 分子名称: | 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine, Bromodomain-containing protein 4 | | 著者 | Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2011-10-11 | | 公開日 | 2011-11-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Benzodiazepines and benzotriazepines as protein interaction inhibitors targeting bromodomains of the BET family.
Bioorg.Med.Chem., 20, 2012
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1X0J
 | | Crystal structure analysis of the N-terminal bromodomain of human Brd2 | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2 | | 著者 | Nakamura, Y, Umehara, T, Shirouzu, M, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2005-03-23 | | 公開日 | 2006-06-27 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural basis for acetylated histone H4 recognition by the human Brd2 bromodomain
To be Published
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1ZS5
 | | Structure-based evaluation of selective and non-selective small molecules that block HIV-1 TAT and PCAF association | | 分子名称: | (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE, Histone acetyltransferase PCAF | | 著者 | Zeng, L, Godbole, S, Muller, M, Yan, S, Sanchez, R, Zhou, M. | | 登録日 | 2005-05-23 | | 公開日 | 2006-05-23 | | 最終更新日 | 2022-03-02 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure-based evaluation of selective nad non-selective small molecules that block hiv-1 tat and pcaf association
TO BE PUBLISHED
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5KDH
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A DIHYDROPYRIDOPYRIMIDINE SCAFFOLD INHIBITOR | | 分子名称: | (5~{S})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{H}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | | 著者 | Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2016-06-08 | | 公開日 | 2017-08-02 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | BET Bromodomain Inhibitors with One-Step Synthesis Discovered from Virtual Screen.
J. Med. Chem., 60, 2017
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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 | 2014-12-03 | | 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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4UYH
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-((2R,4S)-2-methyl-4-(phenylamino)-6-(4-(piperidin-1-ylmethyl)phenyl)-3,4-dihydroquinolin-1(2H)-yl)ethanone | | 分子名称: | 1-[(2S,4R)-2-methyl-4-(phenylamino)-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydroquinolin-1(2H)-yl]ethanone, BROMODOMAIN-CONTAINING PROTEIN 2, DIMETHYL SULFOXIDE, ... | | 著者 | Chung, C, Bamborough, P, Gosmini, R. | | 登録日 | 2014-08-31 | | 公開日 | 2014-10-08 | | 最終更新日 | 2019-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | The Discovery of I-Bet726 (Gsk1324726A), a Potent Tetrahydroquinoline Apoa1 Up-Regulator and Selective Bet Bromodomain Inhibitor.
J.Med.Chem., 57, 2014
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4UYG
 | | C-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A) | | 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 2, SULFATE ION | | 著者 | Chung, C, Bamborough, P, Gosmini, R. | | 登録日 | 2014-08-31 | | 公開日 | 2014-10-08 | | 最終更新日 | 2014-10-22 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The Discovery of I-Bet726 (Gsk1324726A), a Potent Tetrahydroquinoline Apoa1 Up-Regulator and Selective Bet Bromodomain Inhibitor.
J.Med.Chem., 57, 2014
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4UYE
 | | BROMODOMAIN OF HUMAN BRPF1 WITH N-1,3-dimethyl-2-oxo-6-(piperidin-1- yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl-2-methoxybenzamide | | 分子名称: | 1,2-ETHANEDIOL, N-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-benzimidazol-5-yl]-2-methoxybenzamide, PEREGRIN | | 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 | 2014-12-03 | | 実験手法 | X-RAY DIFFRACTION (1.65 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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