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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
5DYC
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BU of 5dyc by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED6
分子名称: 7-bromo-3,4-dihydroquinoxalin-2(1H)-one, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-09-24
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 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
5EM3
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BU of 5em3 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED9
分子名称: NITRATE ION, Peregrin, quinolin-5-ol
著者Zhu, J, Caflisch, A.
登録日2015-11-05
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5EPS
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BU of 5eps by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED10
分子名称: 1-methyl-3,4-dihydroquinoxalin-2-one, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-11-12
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5EPR
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BU of 5epr by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED11
分子名称: (3~{S})-3-methyl-3,4-dihydro-1~{H}-quinoxalin-2-one, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-11-12
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5ETD
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BU of 5etd by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED14
分子名称: 1-(1~{H}-indol-3-yl)ethanone, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-11-17
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5EVA
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BU of 5eva by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED16
分子名称: NITRATE ION, Peregrin, ~{N}-[2,4-bis(fluoranyl)phenyl]-2-methyl-pyrazole-3-carboxamide
著者Zhu, J, Caflisch, A.
登録日2015-11-19
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5EV9
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BU of 5ev9 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED15
分子名称: NITRATE ION, Peregrin, ~{N}-[5-(1~{H}-pyrazol-4-yl)quinolin-8-yl]ethanamide
著者Zhu, J, Caflisch, A.
登録日2015-11-19
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5EWW
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BU of 5eww by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED21
分子名称: NITRATE ION, Peregrin, ~{N}-[(2~{R})-butan-2-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
著者Zhu, J, Wiedmer, L, Caflisch, A.
登録日2015-11-21
公開日2016-11-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal structure of the human BRPF1 bromodomain in complex with SEED21
To Be Published
5F3A
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BU of 5f3a by Molmil
Crystal structure of the bromodomain of human ATAD2 in complex with Compound A14
分子名称: ATPase family AAA domain-containing protein 2, SULFATE ION, ~{N}-(4-ethanoyl-1,3-thiazol-2-yl)azetidin-1-ium-3-carboxamide
著者Dong, J, Caflisch, A.
登録日2015-12-02
公開日2016-12-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Crystal structure of the bromodomain of human ATAD2 in complex with Compound A14
To Be Published
5EWH
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BU of 5ewh by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED19
分子名称: NITRATE ION, Peregrin, isoquinolin-5-ol
著者Zhu, J, Caflisch, A.
登録日2015-11-20
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5EWC
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BU of 5ewc by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED17
分子名称: NITRATE ION, Peregrin, ethyl (2~{R})-2-methyl-3-oxidanylidene-2,4-dihydro-1~{H}-quinoxaline-6-carboxylate
著者Zhu, J, Caflisch, A.
登録日2015-11-20
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5EWV
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BU of 5ewv by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED20
分子名称: 1,5-dimethyl-[1,2,4]triazolo[4,3-a]quinoline, NITRATE ION, Peregrin
著者Zhu, J, Wiedmer, L, Caflisch, A.
登録日2015-11-21
公開日2016-11-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Crystal structure of the human BRPF1 bromodomain in complex with SEED20
To Be Published
5EQ1
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BU of 5eq1 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED12
分子名称: 5-METHYL-1,2,4-TRIAZOLO[3,4-B]BENZOTHIAZOLE, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-11-12
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5ETB
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BU of 5etb by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED13
分子名称: 1-(7-methyl-1~{H}-indol-3-yl)ethanone, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-11-17
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5EPB
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BU of 5epb by Molmil
Crystal structure of the bromodomain of human ATAD2 in complex with Compound 49
分子名称: ATPase family AAA domain-containing protein 2, SULFATE ION, ~{N}-[(2~{S})-2-morpholin-4-ylpropyl]-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzothiazepine-7-carboxamide
著者Dong, J, Caflisch, A.
登録日2015-11-11
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the bromodomain of human ATAD2 in complex with Compound 49
To Be Published
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
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
5MWH
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BU of 5mwh by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ089
分子名称: NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide
著者Zhu, J, Caflisch, A.
登録日2017-01-18
公開日2018-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5MWZ
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BU of 5mwz by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ073
分子名称: Peregrin, ~{N}-[1,4-diethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-2-(4-methylpiperazin-1-yl)ethanamide
著者Zhu, J, Caflisch, A.
登録日2017-01-20
公開日2018-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O4S
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BU of 5o4s by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ135
分子名称: NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
著者Zhu, J, Caflisch, A.
登録日2017-05-30
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
6FQT
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BU of 6fqt by Molmil
Crystal structure of CREBBP bromodomain complexd with DR46
分子名称: CREB-binding protein, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
著者Zhu, J, Caflisch, A.
登録日2018-02-14
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of CREBBP bromodomain complexd with DR46
To Be Published
6FUL
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BU of 6ful by Molmil
Crystal structure of UTX complexed with 5-hydroxy-4-keto-1-methyl-picolinate
分子名称: 1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid, 2-(2-METHOXYETHOXY)ETHANOL, Lysine-specific demethylase 6A, ...
著者Esposito, C, Sledz, P, Caflisch, A.
登録日2018-02-27
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.649 Å)
主引用文献In Silico Identification of JMJD3 Demethylase Inhibitors.
J Chem Inf Model, 58, 2018

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件を2025-07-09に公開中

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