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8B5I
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BU of 8b5i by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one
分子名称: (1~{R})-7,8-dimethoxy-1,3-dimethyl-1~{H}-3-benzazepin-2-one, 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
著者Chung, C.
登録日2022-09-22
公開日2022-11-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.604 Å)
主引用文献Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432.
J.Med.Chem., 65, 2022
8B5J
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BU of 8b5j by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one
分子名称: (5~{R})-7,8-dimethoxy-3,5-dimethyl-2,5-dihydro-1~{H}-3-benzazepin-4-one, 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
著者Chung, C.
登録日2022-09-22
公開日2022-11-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432.
J.Med.Chem., 65, 2022
5A5O
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BU of 5a5o by Molmil
Crystal structure of human ATAD2 bromodomain in complex with 3-methyl- 1,2-dihydroquinolin-2-one
分子名称: 1,2-ETHANEDIOL, 3-METHYL-1,2-DIHYDROQUINOLIN-2-ONE, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ...
著者Chung, C, Bamborough, P, Demont, E.
登録日2015-06-20
公開日2015-07-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5A5R
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BU of 5a5r by Molmil
Crystal structure of human ATAD2 bromodomain in complex with 5-5- methoxypyridin-3-yl-3-methyl-8-piperidin-4-ylamino-1,2-dihydro-1,7- naphthyridin-2-one
分子名称: 1,2-ETHANEDIOL, 5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ...
著者Chung, C, Bamborough, P, Demont, E.
登録日2015-06-20
公開日2015-07-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5A5S
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BU of 5a5s by Molmil
NN-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-5-methoxypyridin-3-yl-3- methyl-8-piperidin-4-ylamino-1,2-dihydro-1,7-naphthyridin-2-one
分子名称: 1,2-ETHANEDIOL, 5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one, BROMODOMAIN-CONTAINING PROTEIN 4
著者Chung, C, Bamborough, P, Demont, E.
登録日2015-06-20
公開日2015-07-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5A5N
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BU of 5a5n by Molmil
Crystal structure of human ATAD2 bromodomain in complex with (2S)-2,6- diacetamido-N-methylhexanamide
分子名称: (2S)-2,6-diacetamido-N-methyl-hexanamide, 1,2-ETHANEDIOL, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ...
著者Chung, C, Bamborough, P, Demont, E.
登録日2015-06-20
公開日2015-07-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5A5P
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BU of 5a5p by Molmil
Crystal structure of human ATAD2 bromodomain in complex with 8-2-(dimethylamino)ethylamino-3-methyl-1,2-dihydroquinolin-2-one
分子名称: 1,2-ETHANEDIOL, 8-{[2-(dimethylamino)ethyl]amino}-3-methyl-1,2-dihydroquinolin-2-one, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ...
著者Chung, C, Bamborough, P, Demont, E.
登録日2015-06-20
公開日2015-07-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
6YQS
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BU of 6yqs by Molmil
BRD9 with methylpiperazinyl-benzyl-amino-dimethylpyridazinone
分子名称: 2,4-dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one, Bromodomain-containing protein 9
著者Chung, C.
登録日2020-04-18
公開日2021-03-24
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.683 Å)
主引用文献Application of Atypical Acetyl-lysine Methyl Mimetics in the Development of Selective Inhibitors of the Bromodomain-Containing Protein 7 (BRD7)/Bromodomain-Containing Protein 9 (BRD9) Bromodomains.
J.Med.Chem., 63, 2020
6YQR
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BU of 6yqr by Molmil
BRD9 with Biphenyl-methylamino-dimethylpyridazinone
分子名称: 2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one, Bromodomain-containing protein 9
著者Chung, C.
登録日2020-04-18
公開日2021-03-24
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.684 Å)
主引用文献Application of Atypical Acetyl-lysine Methyl Mimetics in the Development of Selective Inhibitors of the Bromodomain-Containing Protein 7 (BRD7)/Bromodomain-Containing Protein 9 (BRD9) Bromodomains.
J.Med.Chem., 63, 2020
6YQZ
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BU of 6yqz by Molmil
N-terminal domain of BRD4 with biphenyl-methyamino-dimethylpyridazinone
分子名称: 1,2-ETHANEDIOL, 2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one, Bromodomain-containing protein 4
著者Chung, C.
登録日2020-04-18
公開日2021-03-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Application of Atypical Acetyl-lysine Methyl Mimetics in the Development of Selective Inhibitors of the Bromodomain-Containing Protein 7 (BRD7)/Bromodomain-Containing Protein 9 (BRD9) Bromodomains.
J.Med.Chem., 63, 2020
6YQW
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BU of 6yqw by Molmil
BRD9 with 4-chloro-2-methyl-methylamino-pyridazinone
分子名称: 4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one, Bromodomain-containing protein 9
著者Chung, C.
登録日2020-04-18
公開日2021-04-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Application of Atypical Acetyl-lysine Methyl Mimetics in the Development of Selective Inhibitors of the Bromodomain-Containing Protein 7 (BRD7)/Bromodomain-Containing Protein 9 (BRD9) Bromodomains.
J.Med.Chem., 63, 2020
6Z7G
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BU of 6z7g by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide
分子名称: Bromodomain-containing protein 4, N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide
著者Chung, C.
登録日2020-05-30
公開日2020-07-29
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Design and Synthesis of a Highly Selective andIn Vivo-Capable Inhibitor of the Second Bromodomain of the Bromodomain and Extra Terminal Domain Family of Proteins.
J.Med.Chem., 63, 2020
6Z7F
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BU of 6z7f by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, DI(HYDROXYETHYL)ETHER, ...
著者Chung, C.
登録日2020-05-30
公開日2020-07-29
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.605 Å)
主引用文献Design and Synthesis of a Highly Selective andIn Vivo-Capable Inhibitor of the Second Bromodomain of the Bromodomain and Extra Terminal Domain Family of Proteins.
J.Med.Chem., 63, 2020
6S57
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BU of 6s57 by Molmil
Crystal structure of human ATAD2 bromodomain in complex withN-(3-(azepan-1-ylsulfonyl)-4-methylphenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
分子名称: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ...
著者Chung, C.
登録日2019-06-30
公開日2019-08-21
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献A Qualified Success: Discovery of a New Series of ATAD2 Bromodomain Inhibitors with a Novel Binding Mode Using High-Throughput Screening and Hit Qualification.
J.Med.Chem., 62, 2019
6S56
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BU of 6s56 by Molmil
Crystal structure of human ATAD2 bromodomain in complex with N-(4-chloro-3-(N,N-dimethylsulfamoyl)phenyl)-2-(2,5-dioxo-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalen]-1-yl)acetamide
分子名称: 1,2-ETHANEDIOL, 2-[(4~{R})-2',5'-bis(oxidanylidene)spiro[2,3-dihydro-1~{H}-naphthalene-4,4'-imidazolidine]-1'-yl]-~{N}-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]ethanamide, ATPase family AAA domain-containing protein 2, ...
著者Chung, C.
登録日2019-06-30
公開日2019-08-21
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献A Qualified Success: Discovery of a New Series of ATAD2 Bromodomain Inhibitors with a Novel Binding Mode Using High-Throughput Screening and Hit Qualification.
J.Med.Chem., 62, 2019
6TPY
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BU of 6tpy by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-dimethyl-5-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
分子名称: 1,2-ETHANEDIOL, 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one, Bromodomain-containing protein 4
著者Chung, C.
登録日2019-12-15
公開日2020-01-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020
6TPX
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BU of 6tpx by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1-((1-acetylpiperidin-4-yl)methyl)-2-(4-hydroxy-3,5-dimethylphenyl)-N-methyl-1H-benzo[d]imidazole-5-carboxamide
分子名称: 1,2-ETHANEDIOL, 2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide, Bromodomain-containing protein 4
著者Chung, C.
登録日2019-12-15
公開日2020-01-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020
6TQ2
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BU of 6tq2 by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5-(4-(4-fluorophenyl)-1H-imidazol-5-yl)-1-methylpyridin-2(1H)-one
分子名称: 1,2-ETHANEDIOL, 5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one, Bromodomain-containing protein 2, ...
著者Chung, C.
登録日2019-12-15
公開日2020-02-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020
6TPZ
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BU of 6tpz by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
分子名称: 1,2-ETHANEDIOL, 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 4
著者Chung, C.
登録日2019-12-15
公開日2020-01-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.299 Å)
主引用文献Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020
6TQ1
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BU of 6tq1 by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
分子名称: 1,2-ETHANEDIOL, 5-(3-methoxyphenyl)-1-methyl-pyridin-2-one, Bromodomain-containing protein 2, ...
著者Chung, C.
登録日2019-12-15
公開日2020-01-15
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020
6S55
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BU of 6s55 by Molmil
Crystal structure of human ATAD2 bromodomain in complex with N-(4-bromo-3-((3-methylpiperidin-1-yl)sulfonyl)phenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
分子名称: 1,2-ETHANEDIOL, 2-[2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-bromanyl-3-[(3~{S})-3-methylpiperidin-1-yl]sulfonyl-phenyl]ethanamide, ATPase family AAA domain-containing protein 2, ...
著者Chung, C.
登録日2019-06-30
公開日2019-08-21
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献A Qualified Success: Discovery of a New Series of ATAD2 Bromodomain Inhibitors with a Novel Binding Mode Using High-Throughput Screening and Hit Qualification.
J.Med.Chem., 62, 2019
8PX2
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BU of 8px2 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1,3-dimethyl-5-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
分子名称: 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2
著者Chung, C.W.
登録日2023-07-22
公開日2023-10-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.622 Å)
主引用文献Structure-Guided Design of a Domain-Selective Bromodomain and Extra Terminal N-Terminal Bromodomain Chemical Probe.
J.Med.Chem., 66, 2023
8PX8
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C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (S)-5-(1-((1-acetylpiperidin-3-yl)methyl)-5-bromo-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[5-bromanyl-1-[[(3~{S})-1-ethanoylpiperidin-3-yl]methyl]benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one, ...
著者Chung, C.W.
登録日2023-07-22
公開日2023-10-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献Structure-Guided Design of a Domain-Selective Bromodomain and Extra Terminal N-Terminal Bromodomain Chemical Probe.
J.Med.Chem., 66, 2023
8PXA
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BU of 8pxa by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH (S)-5-(1-((1-(1-isopropylpiperidine-4-carbonyl)piperidin-3-yl)methyl)-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
分子名称: 1,3-dimethyl-5-[1-[[(3~{S})-1-(1-propan-2-ylpiperidin-4-yl)carbonylpiperidin-3-yl]methyl]benzimidazol-2-yl]pyridin-2-one, Bromodomain-containing protein 4
著者Chung, C.
登録日2023-07-22
公開日2023-10-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure-Guided Design of a Domain-Selective Bromodomain and Extra Terminal N-Terminal Bromodomain Chemical Probe.
J.Med.Chem., 66, 2023
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