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5HFQ
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Crystal structure of the second bromodomain Q443H mutant of human BRD2
分子名称: Bromodomain-containing protein 2
著者Tallant, C, Lori, C, Pasquo, A, Chiaraluce, R, Consalvi, V, Fonseca, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
登録日2016-01-07
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of the second bromodomain Q443H mutant of human BRD2
To Be Published
5EGU
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BU of 5egu by Molmil
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR 3-Butyl-8-(6-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-7-ethyl-3,7-dihydropurine-2,6-dione
分子名称: 1,2-ETHANEDIOL, 3-butyl-8-[(6-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione, Bromodomain-containing protein 4
著者Raux, B, Rebuffet, E, Betzi, S, Priet, S, Morelli, X.
登録日2015-10-27
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Exploring Selective Inhibition of the First Bromodomain of the Human Bromodomain and Extra-terminal Domain (BET) Proteins.
J.Med.Chem., 59, 2016
5D3L
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BU of 5d3l by Molmil
First bromodomain of BRD4 bound to inhibitor XD35
分子名称: 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxy-4-methylphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
著者Wohlwend, D, Huegle, M.
登録日2015-08-06
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5D3P
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BU of 5d3p by Molmil
First bromodomain of BRD4 bound to inhibitor XD41
分子名称: 1-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)carbonyl]-N-methyl-1H-indole-6-sulfonamide, Bromodomain-containing protein 4, NICKEL (II) ION
著者Wohlwend, D, Huegle, M.
登録日2015-08-06
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5FG6
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BU of 5fg6 by Molmil
Crystal structure of the bromodomain of human BRD1 (BRPF2) in complex with OF-1 chemical probe
分子名称: 1,2-ETHANEDIOL, 4-bromanyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide, Bromodomain-containing protein 1, ...
著者Tallant, C, Owen, D.R, Gerstenberger, B.S, Savitsky, P, Chaikuad, A, Fedorov, O, Nunez-Alonso, G, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S.
登録日2015-12-20
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structure of the bromodomain of human BRD1 (BRPF2) in complex with OF-1 chemical probe
To Be Published
5HLS
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BU of 5hls by Molmil
Crystal structure of the first bromodomain of human BRD4 bound to CPI-0610
分子名称: Bromodomain-containing protein 4, CPI-0610
著者Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
登録日2016-01-15
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.182 Å)
主引用文献Identification of a Benzoisoxazoloazepine Inhibitor (CPI-0610) of the Bromodomain and Extra-Terminal (BET) Family as a Candidate for Human Clinical Trials.
J.Med.Chem., 59, 2016
5HM0
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BU of 5hm0 by Molmil
Crystal structure of the first bromodomain of human BRD4 bound to benzoisoxazoloazepine 3
分子名称: 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine, Bromodomain-containing protein 4
著者Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
登録日2016-01-15
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.395 Å)
主引用文献Identification of a Benzoisoxazoloazepine Inhibitor (CPI-0610) of the Bromodomain and Extra-Terminal (BET) Family as a Candidate for Human Clinical Trials.
J.Med.Chem., 59, 2016
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
5F2P
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BU of 5f2p by Molmil
Crystal structure of the BRD9 bromodomain in complex with compound 3.
分子名称: 2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one, BRD9
著者Nar, H, Fiegen, D, Zoephel, A, Bader, G.
登録日2015-12-02
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J.Med.Chem., 59, 2016
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
5F1H
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BU of 5f1h by Molmil
Crystal structure of the BRD9 bromodamian in complex with BI-9564.
分子名称: 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 9
著者Bader, G, Martin, L.J, Steurer, S, Weiss-Puxbaum, A, Zoephel, A.
登録日2015-11-30
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J.Med.Chem., 59, 2016
5F1L
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BU of 5f1l by Molmil
Crystal structure of the bromodomain of BRD9 in complex with compound 9.
分子名称: 5-[3,5-dimethoxy-4-[(3-oxidanylazetidin-1-yl)methyl]phenyl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 9
著者Bader, G, Martin, L.J, Steurer, S, Weiss-Puxbaum, A, Zoephel, A.
登録日2015-11-30
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J.Med.Chem., 59, 2016
5E9Y
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BU of 5e9y by Molmil
Crystal Structure of BAZ2B bromodomain in complex with MPD
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
著者Lolli, G, Caflisch, A.
登録日2015-10-15
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography.
Acs Chem.Biol., 11, 2016
5DYU
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BU of 5dyu by Molmil
Crystal Structure of BAZ2B bromodomain in complex with fragment F39
分子名称: 1H-imidazol-5-ylmethanol, Bromodomain adjacent to zinc finger domain protein 2B
著者Lolli, G, Caflisch, A.
登録日2015-09-25
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography.
Acs Chem.Biol., 11, 2016
5E9K
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BU of 5e9k by Molmil
Crystal Structure of BAZ2B bromodomain in complex with fragment F275
分子名称: 2-chloro-1H-imidazole, Bromodomain adjacent to zinc finger domain protein 2B
著者Lolli, G, Caflisch, A.
登録日2015-10-15
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.067 Å)
主引用文献High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography.
Acs Chem.Biol., 11, 2016
5EA1
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BU of 5ea1 by Molmil
Crystal Structure of SMARCA4 bromodomain in complex with MPD
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Transcription activator BRG1
著者Lolli, G, Caflisch, A.
登録日2015-10-15
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography.
Acs Chem.Biol., 11, 2016
5E9L
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BU of 5e9l by Molmil
Crystal Structure of BAZ2B bromodomain in complex with fragment F103
分子名称: 1H-indazol-6-amine, Bromodomain adjacent to zinc finger domain protein 2B
著者Lolli, G, Caflisch, A.
登録日2015-10-15
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography.
Acs Chem.Biol., 11, 2016
5A7C
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BU of 5a7c by Molmil
Crystal structure of the second bromodomain of human BRD3 in complex with compound
分子名称: 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 3, N-(6-ACETAMIDOHEXYL)ACETAMIDE
著者Welin, M, Kimbung, R, Diehl, C, Hakansson, M, Logan, D.T, Walse, B.
登録日2015-07-03
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cancer Differentiating Agent Hexamethylene Bisacetamide Inhibits Bet Bromodomain Proteins.
Cancer Res., 76, 2016
5E9I
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BU of 5e9i by Molmil
Crystal Structure of BAZ2B bromodomain in complex with fragment F60
分子名称: 1H-indol-6-ol, Bromodomain adjacent to zinc finger domain protein 2B
著者Lolli, G, Caflisch, A.
登録日2015-10-15
公開日2016-03-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography.
Acs Chem.Biol., 11, 2016
5E9M
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BU of 5e9m by Molmil
Crystal Structure of BAZ2B bromodomain in complex with N-methyltrimethylacetamide
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, N-methyltrimethylacetamide
著者Lolli, G, Caflisch, A.
登録日2015-10-15
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.778 Å)
主引用文献High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography.
Acs Chem.Biol., 11, 2016
5DYX
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BU of 5dyx by Molmil
Crystal Structure of BAZ2B bromodomain in complex with fragment F59
分子名称: ADENINE, Bromodomain adjacent to zinc finger domain protein 2B
著者Lolli, G, Caflisch, A.
登録日2015-09-25
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography.
Acs Chem.Biol., 11, 2016
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
5FUR
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BU of 5fur by Molmil
Structure of human TFIID-IIA bound to core promoter DNA
分子名称: SUPER CORE PROMOTER, TATA-BOX-BINDING PROTEIN, TRANSCRIPTION INITIATION FACTOR IIA SUBUNIT 1, ...
著者Louder, R.K, He, Y, Lopez-Blanco, J.R, Fang, J, Chacon, P, Nogales, E.
登録日2016-01-29
公開日2016-04-06
最終更新日2017-08-02
実験手法ELECTRON MICROSCOPY (8.5 Å)
主引用文献Structure of Promoter-Bound TFIID and Model of Human Pre-Initiation Complex Assembly.
Nature, 531, 2016
5CGP
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BU of 5cgp by Molmil
Selective pharmacological inhibition of the CREB binding protein bromodomain regulates inflammatory cytokines in macrophages and RGS4 in neurons
分子名称: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole, CREB-binding protein
著者Chekler, E.L, Jones, L.H.
登録日2015-07-09
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Transcriptional Profiling of a Selective CREB Binding Protein Bromodomain Inhibitor Highlights Therapeutic Opportunities.
Chem.Biol., 22, 2015
5CFW
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Selective pharmacological inhibition of the CREB binding protein bromodomain regulates inflammatory cytokines in macrophages and RGS4 in neurons
分子名称: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole, Bromodomain-containing protein 4
著者Chekler, E.L, Jones, L.H.
登録日2015-07-08
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Transcriptional Profiling of a Selective CREB Binding Protein Bromodomain Inhibitor Highlights Therapeutic Opportunities.
Chem.Biol., 22, 2015

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