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5MGK
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BU of 5mgk by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 4-propionyl-pyrrole derivative 2
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate
著者Lolli, G, Spiliotopoulos, D, Caflisch, A.
登録日2016-11-21
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5O4T
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BU of 5o4t by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ061
分子名称: 1,4-dimethylquinoxaline-2,3-dione, Peregrin
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 (1.5 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5MGM
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BU of 5mgm by Molmil
Crystal Structure of BAZ2A bromodomain in complex with acetophenone derivative 4
分子名称: 1-(3-pyrimidin-2-yloxyphenyl)ethanone, Bromodomain adjacent to zinc finger domain protein 2A
著者Lolli, G, Spiliotopoulos, D, Caflisch, A.
登録日2016-11-21
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MQE
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BU of 5mqe by Molmil
Crystal structure of CREBBP bromodomain complexed with CBP006
分子名称: 4-bromanyl-~{N}-methyl-1~{H}-pyrrole-2-carboxamide, CREB-binding protein
著者Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日2016-12-20
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
5MQK
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BU of 5mqk by Molmil
Crystal structure of CREBBP bromodomain complexed with CBP019
分子名称: 1-(1-methylindol-3-yl)ethanone, CREB-binding protein
著者Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日2016-12-20
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
5O5F
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BU of 5o5f by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ038
分子名称: 1-ethyl-~{N}-[(~{R})-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-bis(oxidanylidene)-4~{H}-quinoxaline-6-carboxamide, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2017-06-01
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.302 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O5H
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BU of 5o5h by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ053
分子名称: NITRATE ION, Peregrin, ~{N}-[6-(4-chloranylphenoxy)pyridin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
著者Zhu, J, Caflisch, A.
登録日2017-06-01
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5C87
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BU of 5c87 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED2
分子名称: NITRATE ION, Peregrin, isoquinolin-1(2H)-one
著者Zhu, J, Caflisch, A.
登録日2015-06-25
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
5C7N
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BU of 5c7n by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with Bromosporine
分子名称: Bromosporine, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-06-24
公開日2015-07-08
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
5E3G
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BU of 5e3g by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED8
分子名称: 2-thioxo-2,3,7,9-tetrahydro-1H-purine-6,8-dione, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-10-02
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
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
5DY7
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BU of 5dy7 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED4
分子名称: 7-(trifluoromethyl)-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 (1.69 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
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
5E3D
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BU of 5e3d by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED7
分子名称: 2,8-dithioxo-1,2,3,7,8,9-hexahydro-6H-purin-6-one, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-10-02
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.71 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
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
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
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
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

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