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PDB: 48 件
6BQA
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BRD9 bromodomain in complex with 3-(6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide
分子名称: 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide, Bromodomain-containing protein 9
著者Murray, J.M, Tang, Y.
登録日2017-11-27
公開日2018-11-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.031 Å)
主引用文献Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
5I40
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BU of 5i40 by Molmil
BRD9 in complex with Cpd1 (6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)
分子名称: 1,2-ETHANEDIOL, 6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Bromodomain-containing protein 9, ...
著者Murray, J.M.
登録日2016-02-11
公開日2016-10-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.0402 Å)
主引用文献Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
5I7X
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BU of 5i7x by Molmil
BRD9 in complex with Cpd2 (N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide)
分子名称: Bromodomain-containing protein 9, N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide
著者Murray, J.M.
登録日2016-02-18
公開日2016-10-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.1752 Å)
主引用文献Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
6Y7K
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BU of 6y7k by Molmil
Structure of the BRD9 bromodomain and compound 27
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 9, SODIUM ION, ...
著者Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M.
登録日2020-03-01
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure of the BRD9 bromodomain
To Be Published
4UIT
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BU of 4uit by Molmil
BROMODOMAIN OF HUMAN BRD9 WITH 7-(3,4-dimethoxyphenyl)-2-(4- methanesulfonylpiperazine-1-carbonyl)-5-methyl-4H,5H-thieno-3,2-c- pyridin-4-one
分子名称: 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one, BROMODOMAIN-CONTAINING PROTEIN 9
著者Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G.
登録日2015-04-03
公開日2015-04-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
6V1B
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BU of 6v1b by Molmil
Crystal structure of the bromodomain of human BRD9 bound to I-BRD9
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 9, N'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide
著者Karim, M.R, Chan, A, Schonbrunn, E.
登録日2019-11-20
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
5JI8
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BU of 5ji8 by Molmil
Crystal structure of the BRD9 bromodomain and hit 1
分子名称: 2-amino-1,3-benzothiazole-6-carboxamide, Bromodomain-containing protein 9
著者Wang, N, Li, F, Bao, H, Li, J, Wu, J, Ruan, K.
登録日2016-04-22
公開日2016-06-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献NMR Fragment Screening Hit Induces Plasticity of BRD7/9 Bromodomains
Chembiochem, 17, 2016
4YY6
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BU of 4yy6 by Molmil
Crystal structure of BRD9 Bromodomain bound to a butyryllysine peptide
分子名称: Bromodomain-containing protein 9, Histone H4
著者Tang, Y, Bellon, S, Cochran, A.G, Poy, F.
登録日2015-03-23
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications.
Structure, 23, 2015
5I7Y
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BU of 5i7y by Molmil
BRD9 in complex with Cpd4 ((E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide)
分子名称: 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide, Bromodomain-containing protein 9
著者Murray, J.M.
登録日2016-02-18
公開日2016-10-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.4514 Å)
主引用文献Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
4YY4
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BU of 4yy4 by Molmil
Crystal structure of BRD9 Bromodomain bound to DMSO
分子名称: Bromodomain-containing protein 9, DIMETHYL SULFOXIDE
著者Tang, Y, Bellon, S, Cochran, A.G, Poy, F.
登録日2015-03-23
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications.
Structure, 23, 2015
6V0X
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BU of 6v0x by Molmil
Crystal structure of the bromodomain of human BRD9 bound to sunitinib
分子名称: Bromodomain-containing protein 9, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide
著者Karim, M.R, Chan, A, Zhu, J.Y, Schonbrunn, E.
登録日2019-11-19
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
4YYI
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BU of 4yyi by Molmil
Crystal structure of BRD9 Bromodomain bound to an acetylated peptide
分子名称: Bromodomain-containing protein 9, Histone H4
著者Tang, Y, Bellon, S, Cochran, A.G, Poy, F.
登録日2015-03-23
公開日2015-09-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications.
Structure, 23, 2015
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
8AHC
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BU of 8ahc by Molmil
Crystal structure of the BRD9 bromodomain with BI-7189
分子名称: Bromodomain-containing protein 9, [2,6-dimethoxy-4-(1,2,5-trimethyl-6-oxidanylidene-pyridin-3-yl)phenyl]methyl-dimethyl-azanium
著者Bader, G, Boettcher, J, Weiss-Puxbaum, A.
登録日2022-07-21
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.504 Å)
主引用文献Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments.
Chemmedchem, 18, 2023
4YYD
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BU of 4yyd by Molmil
Crystal structure of BRD9 Bromodomain bound to a crotonyllysine peptide
分子名称: Bromodomain-containing protein 9, Histone H4
著者Tang, Y, Bellon, S, Cochran, A.G, Poy, F.
登録日2015-03-23
公開日2015-09-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications.
Structure, 23, 2015
5IGM
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BU of 5igm by Molmil
Crystal structure of the bromodomain of human BRD9 in complex with bromosporine (BSP)
分子名称: Bromodomain-containing protein 9, Bromosporine
著者Tallant, C, Filippakopoulos, P, Picaud, S, Nunez-Alonso, G, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-02-28
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia.
Sci Adv, 2, 2016
6Y7I
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Structure of the BRD9 bromodomain and compound 2
分子名称: 1,2-ETHANEDIOL, 1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone, Bromodomain-containing protein 9
著者Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M, Structural Genomics Consortium (SGC)
登録日2020-03-01
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of the BRD9 bromodomain and compound 2
To Be Published
6Y7J
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Structure of the BRD9 bromodomain and compound 15
分子名称: 1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone, ACETATE ION, Bromodomain-containing protein 9, ...
著者Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M.
登録日2020-03-01
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of the BRD9 bromodomain
To Be Published
5EU1
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BU of 5eu1 by Molmil
CRYSTAL STRUCTURE OF BRD9 IN COMPLEX WITH BI-7273
分子名称: 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, BRD9
著者Bader, G, Martin, L.M, Steurer, S, Weiss-Puxbaum, A, Zoephel, A.
登録日2015-11-18
公開日2016-03-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J.Med.Chem., 59, 2016
4UIU
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BU of 4uiu by Molmil
BROMODOMAIN OF HUMAN BRD9 WITH 7-(3,4-dimethoxyphenyl)-N-(1,1-dioxo-1- thian-4-yl)-5-methyl-4-oxo-4H,5H-thieno-3,2-c-pyridine-2-carboxamide
分子名称: BROMODOMAIN-CONTAINING PROTEIN 9, N-[1,1-bis(oxidanylidene)thian-4-yl]-7-(3,4-dimethoxyphenyl)-5-methyl-4-oxidanylidene-thieno[3,2-c]pyridine-2-carboxamide
著者Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G.
登録日2015-04-03
公開日2015-04-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
5MKY
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BROMODOMAIN OF HUMAN BRD9 WITH 4-chloro-2-methyl-5-((2-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)amino)pyridazin-3(2H)-one
分子名称: 4-chloranyl-2-methyl-5-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-5-yl)amino]pyridazin-3-one, Bromodomain-containing protein 9
著者Chung, C.-W.
登録日2016-12-05
公開日2017-12-20
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe.
J. Med. Chem., 60, 2017
5F25
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BU of 5f25 by Molmil
Crystal structure of the BRD9 bromodomain in complex with compound 4.
分子名称: 4-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)benzamide, BRD9
著者Bader, G, Martin, L.J, Steurer, S, Weiss-Puxbaum, A, Zoephel, A.
登録日2015-12-01
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J.Med.Chem., 59, 2016
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
5IGN
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BU of 5ign by Molmil
Crystal structure of human BRD9 bromodomain in complex with LP99 chemical probe
分子名称: Bromodomain-containing protein 9, N-[(2R,3S)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide
著者Tallant, C, Clark, P.G.K, Vieira, L.C.C, Newman, J.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-02-28
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of BRD9 bromodomain in complex with LP99 chemical probe
To Be Published

 

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