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PDB: 320 件
6Z7M
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N-TERMINAL BROMODOMAIN OF HUMAN BRD4 (3R,4R)-N-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide
分子名称: (3R,4R)-N-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide, Bromodomain-containing protein 4
著者Chung, C.
登録日2020-05-31
公開日2020-07-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献GSK789: A Selective Inhibitor of the First Bromodomains (BD1) of the Bromo and Extra Terminal Domain (BET) Proteins.
J.Med.Chem., 63, 2020
6Z7L
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N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with GSK789
分子名称: (3~{R},4~{R})-~{N}-cyclohexyl-4-[[5-(furan-2-yl)-3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl]amino]-1-methyl-piperidine-3-carboxamide, Bromodomain-containing protein 4
著者Chung, C.
登録日2020-05-31
公開日2020-07-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.624 Å)
主引用文献GSK789: A Selective Inhibitor of the First Bromodomains (BD1) of the Bromo and Extra Terminal Domain (BET) Proteins.
J.Med.Chem., 63, 2020
7P4S
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BROMODOMAIN OF HUMAN TAF1 (2) WITH naphthyridinone compound
分子名称: 8-[[1-(3-azanylpropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)pyridin-3-yl]-3-methyl-1~{H}-1,7-naphthyridin-2-one, Isoform 2a of Transcription initiation factor TFIID subunit 1
著者Chung, C.
登録日2021-07-13
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Optimization of Naphthyridones into Selective TATA-Binding Protein Associated Factor 1 (TAF1) Bromodomain Inhibitors.
Acs Med.Chem.Lett., 12, 2021
4UYF
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N-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A)
分子名称: 1,2-ETHANEDIOL, 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, BROMODOMAIN-CONTAINING PROTEIN 2, ...
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2024-05-08
実験手法X-RAY DIFFRACTION (1.6 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
4UYH
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BU of 4uyh by Molmil
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2024-05-08
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
5ACY
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BU of 5acy by Molmil
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
6Z7F
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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
6HFW
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Mycobacterium tuberculosis DprE1 in complex with CMP1
分子名称: 8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one, Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Chung, C.
登録日2018-08-21
公開日2018-09-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Novel insight into the reaction of nitro, nitroso and hydroxylamino benzothiazinones and of benzoxacinones with Mycobacterium tuberculosis DprE1.
Sci Rep, 8, 2018
6FFD
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Human BRD4 C-terminal bromodomain with 1-(4-(3-methylbenzyl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone
分子名称: 1-(4-(3-methylbenzyl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone, Bromodomain-containing protein 4
著者Chung, C.
登録日2018-01-06
公開日2019-01-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Design and Synthesis of Tetrahydroquinoxalines as Domain Selective BET Inhibitors
To Be Published
6Y2I
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BU of 6y2i by Molmil
Crystal structure of M. tuberculosis KasA in complex with N-(1H-indazol-5-yl)butane-1-sulfonamide
分子名称: 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 1, SODIUM ION, ...
著者Chung, C.
登録日2020-02-16
公開日2020-04-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.533 Å)
主引用文献Exploring the SAR of the beta-Ketoacyl-ACP Synthase Inhibitor GSK3011724A and Optimization around a Genotoxic Metabolite.
Acs Infect Dis., 6, 2020
6HFV
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BU of 6hfv by Molmil
Mycobacterium tuberculosis DprE1 in complex with CMP2
分子名称: 8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one, Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Chung, C.
登録日2018-08-21
公開日2018-09-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Novel insight into the reaction of nitro, nitroso and hydroxylamino benzothiazinones and of benzoxacinones with Mycobacterium tuberculosis DprE1.
Sci Rep, 8, 2018
6Y2J
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BU of 6y2j by Molmil
Crystal structure of M. tuberculosis KasA in complex with 4,4,4-trifluoro-N-(isoquinolin-6-yl)butane-1-sulfonamide
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 1, 4,4,4-tris(fluoranyl)-~{N}-isoquinolin-6-yl-butane-1-sulfonamide, SODIUM ION, ...
著者Chung, C.
登録日2020-02-16
公開日2020-04-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.886 Å)
主引用文献Exploring the SAR of the beta-Ketoacyl-ACP Synthase Inhibitor GSK3011724A and Optimization around a Genotoxic Metabolite.
Acs Infect Dis., 6, 2020
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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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
7Q6H
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HUMAN JAK3 KINASE DOMAIN WITH 1-(4-((2-((1-methyl-1H-pyrazol-4-yl)amino)quinazolin-8-yl)amino)piperidin-1-yl)ethan-1-one
分子名称: 1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]amino]piperidin-1-yl]ethanone, 1-phenylurea, SULFATE ION, ...
著者Chung, C.
登録日2021-11-07
公開日2022-02-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献Investigation of Janus Kinase (JAK) Inhibitors for Lung Delivery and the Importance of Aldehyde Oxidase Metabolism.
J.Med.Chem., 65, 2022
6YQW
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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
7PI4
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FAK Protac GSK215 in complex with FAK and pVHL:ElonginC:ElonginB
分子名称: (2S,4R)-4-hydroxy-1-((S)-2-(2-(4-(3-methoxy-4-((4-((2-(methylcarbamoyl)phenyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)phenyl)piperazin-1-yl)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Chung, C.
登録日2021-08-19
公開日2021-09-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Discovery and Characterisation of Highly Cooperative FAK-Degrading PROTACs.
Angew.Chem.Int.Ed.Engl., 60, 2021
9FBX
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BU of 9fbx by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
分子名称: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one, ...
著者Chung, C.
登録日2024-05-14
公開日2024-06-26
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Structure- and Property-Based Optimization of Efficient Pan-Bromodomain and Extra Terminal Inhibitors to Identify Oral and Intravenous Candidate I-BET787.
J.Med.Chem., 67, 2024
7P6W
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N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 3bg
分子名称: Bromodomain-containing protein 4, ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)benzamido)acetamido)acetate
著者Chung, C.
登録日2021-07-18
公開日2021-10-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics.
Chemistry, 27, 2021
7P6V
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N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 3ag
分子名称: Bromodomain-containing protein 4, ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)-2,3,5,6-tetrafluorobenzamido)acetamido)acetate
著者Chung, C.
登録日2021-07-18
公開日2021-10-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics.
Chemistry, 27, 2021
7P6Y
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N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 5ef
分子名称: 4-benzoyl-N-(2-(2-(2-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)(methyl)amino)ethoxy)ethoxy)ethyl)-N-(2-oxo-2-((2-(2-(prop-2-yn-1-yloxy)ethoxy)ethyl)amino)ethyl)benzamide, Bromodomain-containing protein 4
著者Chung, C.
登録日2021-07-18
公開日2021-10-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.881 Å)
主引用文献One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics.
Chemistry, 27, 2021
9FBY
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BU of 9fby by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with (5-(4-chloro-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
分子名称: 1,2-ETHANEDIOL, 5-[4-chloranyl-1-(oxan-4-ylmethyl)imidazol-2-yl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 4
著者Chung, C.
登録日2024-05-14
公開日2024-06-26
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献Structure- and Property-Based Optimization of Efficient Pan-Bromodomain and Extra Terminal Inhibitors to Identify Oral and Intravenous Candidate I-BET787.
J.Med.Chem., 67, 2024
4BW3
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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
4BW2
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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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