7OEM
| Crystal structure of the human METTL3-METTL14 complex with compound UOZ120 | 分子名称: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylsulfanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, MAGNESIUM ION, ... | 著者 | Bedi, R.K, Huang, D, Caflisch, A. | 登録日 | 2021-05-03 | 公開日 | 2021-10-20 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
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7OED
| Crystal structure of the human METTL3-METTL14 complex with compound UOZ019a | 分子名称: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | 著者 | Bedi, R.K, Huang, D, Caflisch, A. | 登録日 | 2021-05-03 | 公開日 | 2021-10-20 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
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7OEF
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7OEG
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7OEI
| Crystal structure of the human METTL3-METTL14 complex with compound UOZ083 | 分子名称: | (3~{R})-3-[[5-[(4,4-dimethylpiperidin-1-yl)methyl]-1~{H}-benzimidazol-2-yl]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | 著者 | Bedi, R.K, Huang, D, Caflisch, A. | 登録日 | 2021-05-03 | 公開日 | 2021-10-20 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
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7OEL
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7OEH
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7OEE
| Crystal structure of the human METTL3-METTL14 complex with compound UOZ019b | 分子名称: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{S})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | 著者 | Bedi, R.K, Huang, D, Caflisch, A. | 登録日 | 2021-05-03 | 公開日 | 2021-10-20 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
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7YX6
| Crystal structure of YTHDF2 with compound YLI_DF_027 | 分子名称: | 6-ethyl-1H-pyrimidine-2,4-dione, GLYCEROL, SULFATE ION, ... | 著者 | Nai, F, Li, Y, Caflisch, A. | 登録日 | 2022-02-15 | 公開日 | 2022-02-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
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7YXE
| Crystal structure of YTHDF2 with compound ZA_143 | 分子名称: | GLYCEROL, SODIUM ION, SULFATE ION, ... | 著者 | Nai, F, Zalesak, F, Li, Y, Caflisch, A. | 登録日 | 2022-02-15 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
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7YWB
| Crystal structure of YTHDF2 in complex with N6-Methyladenine | 分子名称: | CHLORIDE ION, GLYCEROL, N-METHYL-9H-PURIN-6-AMINE, ... | 著者 | Nai, F, Li, Y, Caflisch, A. | 登録日 | 2022-02-12 | 公開日 | 2022-03-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
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7Z4U
| Crystal structure of YTHDF2 with compound YLI_DF_028 | 分子名称: | 6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione, CHLORIDE ION, GLYCEROL, ... | 著者 | Nai, F, Li, Y, Caflisch, A. | 登録日 | 2022-03-04 | 公開日 | 2022-03-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
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7Z26
| Crystal structure of YTHDF2 YTH domain in complex with m6A RNA | 分子名称: | GLYCEROL, RNA (5'-R(P*(6MZ)P*CP*U)-3'), SULFATE ION, ... | 著者 | Nai, F, Nachawati, R, Li, Y, Caflisch, A. | 登録日 | 2022-02-25 | 公開日 | 2022-03-16 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
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7Z8W
| Crystal structure of YTHDF2 with compound YLI_DC1_018 | 分子名称: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | 著者 | Nai, F, Li, Y, Caflisch, A. | 登録日 | 2022-03-18 | 公開日 | 2022-03-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
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7Z92
| Crystal structure of YTHDF2 with compound YLI_DF_024 | 分子名称: | 5-azanyl-3,6-dimethyl-1H-pyrimidine-2,4-dione, SULFATE ION, YTH domain-containing family protein 2 | 著者 | Nai, F, Li, Y, Caflisch, A. | 登録日 | 2022-03-19 | 公開日 | 2022-03-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
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7Z8P
| Crystal structure of YTHDF2 with compound ZA_166 | 分子名称: | 3-bromanyl-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine, GLYCEROL, SULFATE ION, ... | 著者 | Nai, F, Zalesak, F, Li, Y, Caflisch, A. | 登録日 | 2022-03-18 | 公開日 | 2022-03-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
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7Z93
| Crystal structure of YTHDF2 with compound YLI_DF_022 | 分子名称: | 5-azanyl-6-ethyl-1H-pyrimidine-2,4-dione, CHLORIDE ION, SULFATE ION, ... | 著者 | Nai, F, Li, Y, Caflisch, A. | 登録日 | 2022-03-19 | 公開日 | 2022-03-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
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7Z8X
| Crystal structure of YTHDF2 with compound YLI_DC1_017 | 分子名称: | 6-methoxy-1H-pyrimidine-2,4-dione, SULFATE ION, YTH domain-containing family protein 2 | 著者 | Nachawati, R, Nai, F, Li, Y, Caflisch, A. | 登録日 | 2022-03-18 | 公開日 | 2022-04-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
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7ZG4
| Crystal structure of YTHDF2 with compound YLI_DF_042 | 分子名称: | GLYCEROL, N-methylpyrimidine-2-carboximidamide, SULFATE ION, ... | 著者 | Nai, F, Li, Y, Caflisch, A. | 登録日 | 2022-04-01 | 公開日 | 2022-04-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
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7Z5M
| Crystal structure of YTHDF2 with compound YLI_DC1_008 | 分子名称: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | 著者 | Nai, F, Li, Y, Caflisch, A. | 登録日 | 2022-03-09 | 公開日 | 2022-06-22 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
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4TS8
| 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
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4TWO
| Human EphA3 Kinase domain in complex with compound 164 | 分子名称: | 5-{[3-carbamoyl-4-(3,4-dimethylphenyl)-5-methylthiophen-2-yl]amino}-5-oxopentanoic acid, Ephrin type-A receptor 3 | 著者 | Dong, J, Caflisch, A. | 登録日 | 2014-07-01 | 公開日 | 2015-05-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.047 Å) | 主引用文献 | Structural Analysis of the Binding of Type I, I1/2, and II Inhibitors to Eph Tyrosine Kinases. Acs Med.Chem.Lett., 6, 2015
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4TWN
| Human EphA3 Kinase domain in complex with Birb796 | 分子名称: | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Ephrin type-A receptor 3 | 著者 | Dong, J, Caflisch, A. | 登録日 | 2014-07-01 | 公開日 | 2015-05-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.706 Å) | 主引用文献 | Structural Analysis of the Binding of Type I, I1/2, and II Inhibitors to Eph Tyrosine Kinases. Acs Med.Chem.Lett., 6, 2015
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2MUS
| HADDOCK calculated model of LIN5001 bound to the HET-s amyloid | 分子名称: | 3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid, Heterokaryon incompatibility protein s | 著者 | Hermann, U.S, Schuetz, A.K, Shirani, H, Saban, D, Nuvolone, M, Huang, D.H, Li, B, Ballmer, B, Aslund, A.K.O, Mason, J.J, Rushing, E, Budka, H, Hammarstrom, P, Bockmann, A, Caflisch, A, Meier, B.H, Nilsson, P.K.R, Hornemann, S, Aguzzi, A. | 登録日 | 2014-09-16 | 公開日 | 2017-02-01 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure-based drug design identifies polythiophenes as antiprion compounds. Sci Transl Med, 7, 2015
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7B7B
| BAZ2A bromodomain in complex with triazole compound MS04 | 分子名称: | 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. | 登録日 | 2020-12-10 | 公開日 | 2021-10-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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