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5L97
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BU of 5l97 by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 3
分子名称: 2-methyl-~{N}-[(2~{S})-2-methylsulfonylcyclopentyl]pyridin-3-amine, Bromodomain adjacent to zinc finger domain protein 2B
著者Lolli, G, Marchand, J.-R, Caflisch, A.
登録日2016-06-09
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation.
J. Med. Chem., 59, 2016
5ORB
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BU of 5orb by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 1-methyl-cyclopentapyrazole compound 30
分子名称: 1,2-ETHANEDIOL, 2-(4-methoxyphenyl)sulfanyl-~{N}-(2-methyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)ethanamide, Bromodomain adjacent to zinc finger domain protein 2B
著者Lolli, G, Dalle Vedove, A, Marchand, J.-R, Caflisch, A.
登録日2017-08-15
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking.
J Chem Inf Model, 57, 2017
5OR9
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BU of 5or9 by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 1-methyl-cyclopentapyrazole compound 13
分子名称: (2~{S})-1-(4-fluorophenyl)sulfonyl-~{N}-(2-methyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
著者Lolli, G, Vedove, A.D, Marchand, J.-R, Caflisch, A.
登録日2017-08-15
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking.
J Chem Inf Model, 57, 2017
5OR8
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BU of 5or8 by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 1,3-dimethyl-benzimidazolone compound 1
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxidanylidene-benzimidazole-5-sulfonamide
著者Lolli, G, Dalle Vedove, A, Marchand, J.-R, Caflisch, A.
登録日2017-08-15
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking.
J Chem Inf Model, 57, 2017
6FGI
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BU of 6fgi by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 3-amino-2-methylpyridine derivative 2
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(3~{S})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine
著者Dalle Vedove, A, Marchand, J.-R, 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 (2.551 Å)
主引用文献Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FGH
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BU of 6fgh by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 3-amino-2-methylpyridine derivative 1
分子名称: 2-methyl-~{N}-[(2~{R})-1-methylsulfonylpropan-2-yl]pyridin-3-amine, Bromodomain adjacent to zinc finger domain protein 2A
著者Dalle Vedove, A, Marchand, J.-R, 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 (2.1 Å)
主引用文献Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
5L96
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BU of 5l96 by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 1
分子名称: 1,2-ETHANEDIOL, 2-methyl-~{N}-[(2~{R})-1-methylsulfonylpropan-2-yl]pyridin-3-amine, Bromodomain adjacent to zinc finger domain protein 2B
著者Lolli, G, Marchand, J.-R, Caflisch, A.
登録日2016-06-09
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation.
J. Med. Chem., 59, 2016
5L8U
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BU of 5l8u by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 5
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, TRIETHYLENE GLYCOL, ~{N}-[(1~{S})-1-(3,4-dihydro-2~{H}-1,5-benzodioxepin-7-yl)ethyl]-2-methyl-pyridin-3-amine
著者Lolli, G, Marchand, J.-R, Caflisch, A.
登録日2016-06-08
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation.
J. Med. Chem., 59, 2016
5L99
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BU of 5l99 by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 6
分子名称: 2-methyl-~{N}-[(1~{S})-1-thieno[3,2-b]pyridin-6-ylethyl]pyridin-3-amine, Bromodomain adjacent to zinc finger domain protein 2B
著者Lolli, G, Marchand, J.-R, Caflisch, A.
登録日2016-06-09
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation.
J. Med. Chem., 59, 2016
5L8T
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BU of 5l8t by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 2
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-[(3~{R})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine
著者Lolli, G, Marchand, J.-R, Caflisch, A.
登録日2016-06-08
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation.
J. Med. Chem., 59, 2016
5L98
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BU of 5l98 by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 4
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-[(1~{S})-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-pyridin-3-amine
著者Lolli, G, Marchand, J.-R, Caflisch, A.
登録日2016-06-09
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.263 Å)
主引用文献Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation.
J. Med. Chem., 59, 2016

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件を2024-07-10に公開中

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