7O2H
| Crystal structure of the human METTL3-METTL14 complex bound to Compound 13 (ADO_AD_091) | 分子名称: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1-methyl-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | 著者 | Bedi, R.K, Dolbois, A, Caflisch, A. | 登録日 | 2021-03-30 | 公開日 | 2021-09-15 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of the human METTL3-METTL14 complex bound to Compound 13 (ADO_AD_091) To Be Published
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7O0P
| Crystal structure of the human METTL3-METTL14 complex bound to Compound 10 (ADO_AD_022) | 分子名称: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | 著者 | Bedi, R.K, Dolbois, A, Caflisch, A. | 登録日 | 2021-03-26 | 公開日 | 2021-09-15 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal structure of the human METTL3-METTL14 complex bound to Compound 10 (ADO_AD_022) To Be Published
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7O0R
| Crystal structure of the human METTL3-METTL14 complex bound to Compound 15 (ADO_AE_026) | 分子名称: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | 著者 | Bedi, R.K, Dolbois, A, Caflisch, A. | 登録日 | 2021-03-26 | 公開日 | 2021-09-15 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of the human METTL3-METTL14 complex bound to Compound 15 (ADO_AE_026) To Be Published
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7O27
| Crystal structure of the human METTL3-METTL14 complex bound to Compound 17 (ADO_AE_005) | 分子名称: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | 著者 | Bedi, R.K, Dolbois, A, Caflisch, A. | 登録日 | 2021-03-30 | 公開日 | 2021-09-15 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure of the human METTL3-METTL14 complex bound to Compound 17 (ADO_AE_005) To Be Published
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7O0Q
| Crystal structure of the human METTL3-METTL14 complex bound to Compound 12 (ADO_AD_066) | 分子名称: | 3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-8-[6-(methylamino)pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decan-2-one, ACETATE ION, MAGNESIUM ION, ... | 著者 | Bedi, R.K, Dolbois, A, Caflisch, A. | 登録日 | 2021-03-26 | 公開日 | 2021-09-15 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Crystal structure of the human METTL3-METTL14 complex bound to Compound 12 (ADO_AD_066) To Be Published
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6YNO
| Crystal structure of YTHDC1 with compound DHU_DC1_139 | 分子名称: | 6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione, 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 (1.4 Å) | 主引用文献 | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1. J Chem Theory Comput, 17, 2021
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6YM8
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6ZD9
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6ZD7
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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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6ZD4
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6ZCN
| Crystal structure of YTHDC1 with m6A | 分子名称: | N6-METHYLADENOSINE-5'-MONOPHOSPHATE, SULFATE ION, YTHDC1 | 著者 | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | 登録日 | 2020-06-11 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1. J Chem Theory Comput, 17, 2021
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7P8B
| Crystal structure of YTHDC1 with compound YLI_DC1_006 | 分子名称: | 9-cyclopropyl-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1 | 著者 | Bedi, R.K, Li, Y, Dolbois, A, Caflisch, A. | 登録日 | 2021-07-21 | 公開日 | 2021-10-20 | 最終更新日 | 2024-02-07 | 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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7P8A
| Crystal structure of YTHDC1 with compound YLI_DC1_003 | 分子名称: | SULFATE ION, YTH domain-containing protein 1, ~{N},9-dimethylpurin-6-amine | 著者 | Bedi, R.K, Li, Y, Dolbois, A, Caflisch, A. | 登録日 | 2021-07-21 | 公開日 | 2021-10-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 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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7P87
| Crystal structure of YTHDC1 with compound YLI_DC1_001 | 分子名称: | N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide, SULFATE ION, YTH domain-containing protein 1 | 著者 | Bedi, R.K, Li, Y, Dolbois, A, Caflisch, A. | 登録日 | 2021-07-21 | 公開日 | 2021-10-20 | 最終更新日 | 2024-01-31 | 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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6ZOT
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6ZD5
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6ZDA
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6ZD8
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7A1V
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6ZCM
| Crystal structure of YTHDC1 with compound DHU_DC1_180 | 分子名称: | 6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1 | 著者 | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | 登録日 | 2020-06-11 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1. J Chem Theory Comput, 17, 2021
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6ZD3
| Crystal structure of YTHDC1 M438A mutant | 分子名称: | DI(HYDROXYETHYL)ETHER, SULFATE ION, YTH domain containing 1 | 著者 | Bedi, R.K, Li, Y, Caflisch, A. | 登録日 | 2020-06-13 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1. J Chem Theory Comput, 17, 2021
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5L96
| 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
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6GLE
| Crystal structure of hMTH1 in complex with TH scaffold 1 in the presence of acetate | 分子名称: | 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | 著者 | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | 登録日 | 2018-05-23 | 公開日 | 2019-02-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.402 Å) | 主引用文献 | hMTH1 in complex with TH scaffold 1 To Be Published
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6GLK
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