8Q2Q
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8Q32
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8Q4N
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8Q4Q
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6FGL
| Crystal Structure of BAZ2A bromodomain in complex with acetylindole compound UZH47 | 分子名称: | Bromodomain adjacent to zinc finger domain protein 2A, MAGNESIUM ION, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide | 著者 | Dalle Vedove, A, Unzue, A, Nevado, C, 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 (2.1 Å) | 主引用文献 | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains. ChemMedChem, 13, 2018
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6YNI
| Crystal structure of YTHDC1 with compound DHU_DC1_036 | 分子名称: | (2~{R},3~{R})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine, SULFATE ION, YTHDC1 | 著者 | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | 登録日 | 2020-04-13 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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6YNL
| Crystal structure of YTHDC1 with compound DHU_DC1_078 | 分子名称: | 3-[(2~{R})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{N}-(methylcarbamoyl)propanamide, SULFATE ION, YTHDC1 | 著者 | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | 登録日 | 2020-04-14 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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6YNP
| Crystal structure of YTHDC1 with compound T96C1 | 分子名称: | CHLORIDE ION, SULFATE ION, YTHDC1, ... | 著者 | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | 登録日 | 2020-04-14 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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6YL8
| Crystal structure of YTHDC1 with compound DHU_DC1_011 | 分子名称: | (2~{R},5~{S})-2-(2-chlorophenyl)-5-methyl-morpholine, SULFATE ION, YTHDC1 | 著者 | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | 登録日 | 2020-04-06 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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6FGV
| 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
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6FGT
| 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
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6FGF
| 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
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6FH7
| 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
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6FH6
| 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
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6FGI
| 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
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6FGU
| 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
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6FG6
| 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
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6FGH
| 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
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6FGW
| 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
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6FGG
| 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
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6FQO
| Crystal structure of CREBBP bromodomain complexd with DT29 | 分子名称: | 1,2-ETHANEDIOL, CREB-binding protein, ~{N}-[3-(2,5-dimethyl-3-oxidanylidene-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide | 著者 | Zhu, J, Caflisch, A. | 登録日 | 2018-02-14 | 公開日 | 2018-08-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules. ACS Med Chem Lett, 9, 2018
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6FQU
| Crystal structure of CREBBP bromodomain complexd with DR09 | 分子名称: | 1-[3-[3-[3,3-bis(fluoranyl)piperidin-1-yl]phenyl]-4-ethoxy-phenyl]ethanone, CREB-binding protein | 著者 | Zhu, J, Caflisch, A. | 登録日 | 2018-02-14 | 公開日 | 2018-08-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules. ACS Med Chem Lett, 9, 2018
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6EQ2
| MTH1 in complex with fragment 6 | 分子名称: | 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase | 著者 | Wiedmer, L, Sledz, P, Caflisch, A. | 登録日 | 2017-10-12 | 公開日 | 2018-10-31 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.802 Å) | 主引用文献 | Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
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6EQ7
| MTH1 in complex with fragment 11 | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, 7-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine, SULFATE ION | 著者 | Wiedmer, L, Sledz, P, Caflisch, A. | 登録日 | 2017-10-12 | 公開日 | 2018-10-31 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
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6EQ4
| MTH1 in complex with fragment 8 | 分子名称: | 4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | 著者 | Wiedmer, L, Sledz, P, Caflisch, A. | 登録日 | 2017-10-12 | 公開日 | 2018-10-31 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
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