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PDB: 29 件

4TS8
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Crystal structure of the bromodomain of human CREBBP in complex with XZ08
分子名称: 1,2-ETHANEDIOL, 4-(1-acetyl-1H-indol-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one, CREB-binding protein
著者Dong, J, Gartenmann, L, Spiliotopoulos, D, Caflisch, A.
登録日2014-06-18
公開日2015-07-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the bromodomain of human CREBBP in complex with XZ08
To Be Published
2NAA
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BU of 2naa by Molmil
NSD1-PHD_5-C5HCH tandem domain structure
分子名称: Histone-lysine N-methyltransferase, H3 lysine-36 and H4 lysine-20 specific, ZINC ION
著者Berardi, A, Quilici, G, Spiliotopoulos, D, Musco, G.
登録日2015-12-22
公開日2016-03-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for PHDVC5HCHNSD1-C2HRNizp1 interaction: implications for Sotos syndrome.
Nucleic Acids Res., 44, 2016
2LRI
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BU of 2lri by Molmil
NMR structure of the second PHD finger of AIRE (AIRE-PHD2)
分子名称: Autoimmune regulator, ZINC ION
著者Gaetani, M, Chignola, F, Mollica, L, Quilici, G, Mannella, V, Spiliotopoulos, D, Musco, G.
登録日2012-04-03
公開日2012-10-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献AIRE-PHD fingers are structural hubs to maintain the integrity of chromatin-associated interactome.
Nucleic Acids Res., 40, 2012
2NAB
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BU of 2nab by Molmil
Nizp1-C2HR zinc finger structure
分子名称: ZINC ION, Zinc finger protein 496
著者Berardi, A, Quilici, G, Spiliotopoulos, D, Corral-Rodriguez, M, Martin, F, Degano, M, Tonon, G, Musco, G.
登録日2015-12-22
公開日2016-03-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for PHDVC5HCHNSD1-C2HRNizp1 interaction: implications for Sotos syndrome.
Nucleic Acids Res., 44, 2016
5MQG
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BU of 5mqg by Molmil
Crystal structure of CREBBP bromodomain complexed with CBP015
分子名称: 1-(4-azanyl-3-methoxy-phenyl)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 (1.35 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
5MPZ
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Crystal structure of CREBBP bromodomain complexed with CBP007
分子名称: CREB-binding protein, methyl 2-oxidanylidene-3~{H}-1,3-benzoxazole-6-carboxylate
著者Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日2016-12-19
公開日2017-05-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 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
5MQE
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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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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
5MGK
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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
5MGG
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Crystal Structure of BAZ2B bromodomain in complex with 4-chloropyridine derivative 3
分子名称: 4-chloranyl-~{N}-methyl-pyridine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2B
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 (2.1 Å)
主引用文献Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MGJ
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BU of 5mgj by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridine derivative 1
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-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 (2.1 Å)
主引用文献Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MGL
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Crystal Structure of BAZ2A bromodomain in complex with 4-chloropyridine derivative 3
分子名称: 4-chloranyl-~{N}-methyl-pyridine-2-carboxamide, 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 (2.651 Å)
主引用文献Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MGE
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BU of 5mge by Molmil
Crystal structure of BAZ2B bromodomain in complex with 1-methylpyridine derivative 1
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-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 (1.95 Å)
主引用文献Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MGF
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BU of 5mgf by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 4-propionyl-pyrrole derivative 2
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, 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 (1.9 Å)
主引用文献Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
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
6FGF
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BU of 6fgf by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 2
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[3-[(4-fluorophenyl)carbonylamino]propyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
著者Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
登録日2018-01-10
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FG6
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BU of 6fg6 by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 1
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
著者Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
登録日2018-01-10
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FGG
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BU of 6fgg by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 5
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[3-[2-(dimethylamino)ethyl]-2-oxidanylidene-1,3-benzoxazol-5-yl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
著者Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
登録日2018-01-10
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FGT
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BU of 6fgt by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 1-methylpyridinone compound 3
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
著者Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
登録日2018-01-11
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FGV
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BU of 6fgv by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 3
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
著者Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
登録日2018-01-11
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FH7
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BU of 6fh7 by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 1-methylpyridinone compound 2
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-[3-[(4-fluorophenyl)carbonylamino]propyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
著者Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
登録日2018-01-12
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FH6
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BU of 6fh6 by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 1-methylpyridinone compound 1
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
著者Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
登録日2018-01-12
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.082 Å)
主引用文献Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FGU
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BU of 6fgu by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 1-methylpyridinone compound 4
分子名称: 1-methyl-6-oxidanylidene-~{N}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide, Bromodomain adjacent to zinc finger domain protein 2B
著者Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
登録日2018-01-11
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FGW
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BU of 6fgw by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 4
分子名称: 1-methyl-6-oxidanylidene-~{N}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A
著者Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
登録日2018-01-11
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.725 Å)
主引用文献Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
5E73
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Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH47
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide
著者Lolli, G, Spiliotopoulos, D, Unzue, A, Nevado, C, Caflisch, A.
登録日2015-10-11
公開日2015-10-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.
J. Med. Chem., 59, 2016

 

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