5ORB
 
 | | 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
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5OR9
 | | 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
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6YKI
 | | Crystal structure of YTHDC1 with compound DHU_DC1_092 | | 分子名称: | SULFATE ION, YTHDC1, ~{N}-ethyl-2-[(2~{S},5~{R})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine | | 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 (1.3 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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6YKE
 | | Crystal structure of YTHDC1 with compound DHU_DC1_038 | | 分子名称: | (2~{R})-2-(3-fluorophenyl)-5,5-dimethyl-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 (1.52 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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6YL9
 | | Crystal structure of YTHDC1 with compound DHU_DC1_085 | | 分子名称: | 3-[(2~{R},5~{S})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide, 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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6YKZ
 | | Crystal structure of YTHDC1 with compound DHU_DC1_234 | | 分子名称: | SULFATE ION, YTHDC1, ~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide | | 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 (1.2 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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6YNK
 | | Crystal structure of YTHDC1 with compound DHU_DC1_068 | | 分子名称: | 6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | | 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 (1.3 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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6YOQ
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6YNJ
 | | Crystal structure of YTHDC1 with compound DHU_DC1_046 | | 分子名称: | (2~{R})-2-(2-chlorophenyl)-5,5-dimethyl-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 (1.5 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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6YNM
 | | Crystal structure of YTHDC1 with compound DHU_DC1_096 | | 分子名称: | 1-[(2~{R},5~{S})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol, 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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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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6EPJ
 | | The ATAD2 bromodomain in complex with compound 6 | | 分子名称: | (2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION | | 著者 | Sledz, P, Caflisch, A. | | 登録日 | 2017-10-11 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.652 Å) | | 主引用文献 | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
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6EPT
 | | The ATAD2 bromodomain in complex with compound 12 | | 分子名称: | (2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide, (2~{S})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide, ATPase family AAA domain-containing protein 2, ... | | 著者 | Sledz, P, Caflisch, A. | | 登録日 | 2017-10-12 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
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6YM2
 | | Crystal structure of YTHDC1 with compound ADO_AC_25 | | 分子名称: | SULFATE ION, YTHDC1, ~{N},9-dimethylpurin-6-amine | | 著者 | Bedi, R.K, Li, Y, Dolbois, A, Wiedmer, L, Caflisch, A. | | 登録日 | 2020-04-07 | | 公開日 | 2021-04-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of YTHDC1 with compound ADO_AC_25
To Be Published
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6EPV
 | | The ATAD2 bromodomain in complex with compound 5 | | 分子名称: | (2~{R})-2-azanyl-~{N}-(4-oxidanylidene-6,7-dihydro-5~{H}-1,3-benzothiazol-2-yl)propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION | | 著者 | 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 (1.793 Å) | | 主引用文献 | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
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6EPX
 | | The ATAD2 bromodomain in complex with compound 3 | | 分子名称: | (2~{R})-2-carbamimidamido-~{N}-(4-ethanoyl-1,3-thiazolidin-2-yl)propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION | | 著者 | 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 (1.84 Å) | | 主引用文献 | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
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6EPU
 | | The ATAD2 bromodomain in complex with compound 2 | | 分子名称: | (2~{S})-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide, ATPase family AAA domain-containing protein 2, SULFATE ION | | 著者 | 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 (1.8 Å) | | 主引用文献 | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
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6YKJ
 | | Crystal structure of YTHDC1 with compound DHU_DC1_125 | | 分子名称: | SULFATE ION, YTHDC1, ~{N}-methyl-4-(methylamino)pyridine-2-carboxamide | | 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 (1.6 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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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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6FR0
 | | Crystal structure of CREBBP bromodomain complexd with PB08 | | 分子名称: | CREB-binding protein, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(2-ethyl-5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide | | 著者 | Zhu, J, Caflisch, A. | | 登録日 | 2018-02-15 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.5 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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6FRF
 | | Crystal structure of CREBBP bromodomain complexd with PA10 | | 分子名称: | CREB-binding protein, ~{N}-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide | | 著者 | Zhu, J, Caflisch, A. | | 登録日 | 2018-02-15 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 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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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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