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PDB: 2208 件
7B7B
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BU of 7b7b by Molmil
BAZ2A bromodomain in complex with triazole compound MS04
分子名称: 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole, Bromodomain adjacent to zinc finger domain protein 2A
著者Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G.
登録日2020-12-10
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
7AQT
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BU of 7aqt by Molmil
NMR2 structure of BRD4-BD2 in complex with iBET-762
分子名称: 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Orts, J, Torres, F, Milbradt, A.G, Walser, R.
登録日2020-10-23
公開日2022-03-02
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24.
J.Med.Chem., 65, 2022
7B1T
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BU of 7b1t by Molmil
Crystal structure of BRD4(1) in complex with the inhibitor MPM6
分子名称: 3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE
著者Huegle, M.
登録日2020-11-25
公開日2022-06-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献A novel pan-selective bromodomain inhibitor for epigenetic drug design.
Eur.J.Med.Chem., 249, 2023
6ZN6
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BU of 6zn6 by Molmil
Protein polybromo-1 (PB1 BD2) Bound To MW278
分子名称: 1,2-ETHANEDIOL, 2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol, Protein polybromo-1
著者Preuss, F, Mathea, S, Chatterjee, D, Wanior, M, Joerger, A.C, Knapp, S.
登録日2020-07-06
公開日2020-08-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020
6ZS3
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BU of 6zs3 by Molmil
Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol
分子名称: 1,2-ETHANEDIOL, 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Protein polybromo-1
著者Preuss, F, Joerger, A.C, Wanior, M, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-07-15
公開日2020-10-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020
8CV5
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BU of 8cv5 by Molmil
Peptide 4.2B in complex with BRD3.2
分子名称: ACETYL GROUP, AMINO GROUP, Bromodomain-containing protein 3, ...
著者Franck, C, Mackay, J.P.
登録日2022-05-18
公開日2023-05-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins.
Structure, 31, 2023
8CV7
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BU of 8cv7 by Molmil
Peptide 2.2E in complex with BRD2-BD2
分子名称: ACETYL GROUP, AMINO GROUP, Isoform 3 of Bromodomain-containing protein 2, ...
著者Franck, C, Mackay, J.P.
登録日2022-05-18
公開日2023-05-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins.
Structure, 31, 2023
8CV4
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BU of 8cv4 by Molmil
Peptide 4.2C in complex with BRD4.2
分子名称: ACETYL GROUP, AMINO GROUP, BRD4 protein, ...
著者Franck, C, Mackay, J.P.
登録日2022-05-18
公開日2023-05-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins.
Structure, 31, 2023
8CV6
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BU of 8cv6 by Molmil
Peptide 4.2B in complex with BRD4.2
分子名称: ACETYL GROUP, AMINO GROUP, BRD4 protein, ...
著者Franck, C, Mackay, J.P.
登録日2022-05-18
公開日2023-05-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins.
Structure, 31, 2023
6ZNV
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BU of 6znv by Molmil
Protein polybromo-1 (PB1 BD2) Bound To DP28
分子名称: 1,2-ETHANEDIOL, 1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol, ACETATE ION, ...
著者Preuss, F, Mathea, S, Chatterjee, D, Wanior, M, Joerger, A.C, Knapp, S.
登録日2020-07-06
公開日2020-08-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020
6ZS2
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BU of 6zs2 by Molmil
Crystal Structure of the bromodomain of human transcription activator BRG1 (SMARCA4) in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol
分子名称: 1,2-ETHANEDIOL, 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Transcription activator BRG1
著者Preuss, F, Joerger, A.C, Kraemer, A, Wanior, M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-07-15
公開日2020-10-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020
7A9U
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BU of 7a9u by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide
分子名称: 1,2-ETHANEDIOL, 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide, Bromodomain-containing protein 4
著者Chung, C.
登録日2020-09-02
公開日2020-10-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.444 Å)
主引用文献A Photoaffinity-Based Fragment-Screening Platform for Efficient Identification of Protein Ligands.
Angew.Chem.Int.Ed.Engl., 59, 2020
6ZS4
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BU of 6zs4 by Molmil
Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate
分子名称: 1,2-ETHANEDIOL, Protein polybromo-1, tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate
著者Preuss, F, Joerger, A.C, Kraemer, A, Wanior, M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-07-15
公開日2020-10-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020
7BBO
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BU of 7bbo by Molmil
Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P212121
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, PH-interacting protein
著者Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC)
登録日2020-12-18
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212
To Be Published
7BBP
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BU of 7bbp by Molmil
Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with H4K5acK8ac
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Histone H4, ...
著者Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC)
登録日2020-12-18
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with H4K5acK8ac
To Be Published
8EAD
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BU of 8ead by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-177
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-{2-chloro-5-[(5-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]anilino}pyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide
著者Karim, M.R, Schonbrunn, E.
登録日2022-08-29
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-177
To Be Published
3LJW
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BU of 3ljw by Molmil
Crystal Structure of the Second Bromodomain of Human Polybromo
分子名称: ACETATE ION, Protein polybromo-1, SODIUM ION
著者Charlop-Powers, Z, Zhou, M.M, Zeng, L, Zhang, Q.
登録日2010-01-26
公開日2010-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Structural insights into selective histone H3 recognition by the human Polybromo bromodomain 2.
Cell Res., 20, 2010
3LXJ
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BU of 3lxj by Molmil
Crystal Structure of the Bromodomain of Human AAA domain containing 2B (ATAD2B)
分子名称: ATPase family AAA domain-containing protein 2B, ISOPROPYL ALCOHOL
著者Filippakopoulos, P, Keates, T, Picaud, S, Fedorov, O, Krojer, T, Vollmar, M, Muniz, J, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2010-02-25
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3MQM
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BU of 3mqm by Molmil
Crystal Structure of the Bromodomain of human ASH1L
分子名称: Probable histone-lysine N-methyltransferase ASH1L
著者Filippakopoulos, P, Picaud, S, Keates, T, Felletar, I, Vollmar, M, Chaikuad, A, Krojer, T, Canning, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2010-04-28
公開日2010-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3MB3
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BU of 3mb3 by Molmil
Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP)
分子名称: 1-methylpyrrolidin-2-one, PH-interacting protein
著者Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2010-03-25
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3MUL
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BU of 3mul by Molmil
Crystal structure of Brd4 bromodomain 1 with butyrylated histone H3-K(buty)14
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Peptide of Histone H3.3
著者Vollmuth, F, Geyer, M.
登録日2010-05-03
公開日2010-08-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Interaction of propionylated and butyrylated histone H3 lysine marks with Brd4 bromodomains
Angew.Chem.Int.Ed.Engl., 49, 2010
3MUK
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Crystal structure of Brd4 bromodomain 1 with propionylated histone H3-K(prop)23
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, peptide of Histone H3.3
著者Vollmuth, F, Geyer, M.
登録日2010-05-03
公開日2010-08-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Interaction of propionylated and butyrylated histone H3 lysine marks with Brd4 bromodomains
Angew.Chem.Int.Ed.Engl., 49, 2010
3MB4
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Crystal Structure of the fifth Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) with NMP
分子名称: 1,2-ETHANEDIOL, 1-methylpyrrolidin-2-one, CHLORIDE ION, ...
著者Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2010-03-25
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3ONI
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BU of 3oni by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor JQ1
分子名称: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain containing 2, ...
著者Filippakopoulos, P, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Structural Genomics Consortium (SGC)
登録日2010-08-29
公開日2010-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Selective inhibition of BET bromodomains.
Nature, 468, 2010
3P5O
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BU of 3p5o by Molmil
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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