6RT5
 
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8BS6
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8BS5
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8BS4
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4TQN
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7O0L
 | | Crystal structure of the human METTL3-METTL14 complex bound to Compound 8 (ADO_AC_093) | | 分子名称: | 4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]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 | 2021-09-01 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors.
J.Med.Chem., 64, 2021
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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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7O0M
 | | Crystal structure of the human METTL3-METTL14 complex bound to Compound 9 (ADO_AD_023) | | 分子名称: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-[(phenylmethyl)amino]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 (2.39 Å) | | 主引用文献 | Crystal structure of the human METTL3-METTL14 complex bound to Compound 9 (ADO_AD_023)
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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7OEK
 | | Crystal structure of the human METTL3-METTL14 complex with compound UOZ091 | | 分子名称: | 4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-2-oxidanyl-N-[[(3R)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]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 (1.9 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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7OEJ
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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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6EQ6
 | | MTH1 in complex with fragment 1 | | 分子名称: | 3-pyrrolidin-1-ylquinoxalin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE 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 (2.002 Å) | | 主引用文献 | Ligand retargeting by binding site analogy.
Eur.J.Med.Chem., 175, 2019
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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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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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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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7Z7F
 | | Crystal structure of YTHDF2 with compound YLI_DC1_005 | | 分子名称: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | | 著者 | Nai, F, Li, Y, Dolbois, A, Caflisch, A. | | 登録日 | 2022-03-15 | | 公開日 | 2022-03-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.95 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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7Z54
 | | Crystal structure of YTHDF2 with compound YLI_DC1_006 | | 分子名称: | 9-cyclopropyl-~{N}-methyl-purin-6-amine, CHLORIDE ION, GLYCEROL, ... | | 著者 | Nai, F, Li, Y, Dolbois, A, Caflisch, A. | | 登録日 | 2022-03-07 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.82 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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7Z7B
 | | Crystal structure of YTHDF2 with compound YLI_DC1_003 | | 分子名称: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | | 著者 | Nai, F, Li, Y, Dolbois, A, Caflisch, A. | | 登録日 | 2022-03-15 | | 公開日 | 2022-06-22 | | 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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4D4E
 | | Crystal structure of computationally designed armadillo repeat proteins for modular peptide recognition. | | 分子名称: | ARMADILLO REPEAT PROTEIN ARM00016, GLYCEROL | | 著者 | Reichen, C, Forzani, C, Zhou, T, Parmeggiani, F, Fleishman, S.J, Mittl, P.R.E, Madhurantakam, C, Honegger, A, Ewald, C, Zerbe, O, Baker, D, Caflisch, A, Pluckthun, A. | | 登録日 | 2014-10-28 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Computationally Designed Armadillo Repeat Proteins for Modular Peptide Recognition.
J.Mol.Biol., 428, 2016
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4D49
 | | Crystal structure of computationally designed armadillo repeat proteins for modular peptide recognition. | | 分子名称: | ARGININE, ARMADILLO REPEAT PROTEIN ARM00027, POLY ARG DECAPEPTIDE | | 著者 | Reichen, C, Forzani, C, Zhou, T, Parmeggiani, F, Fleishman, S.J, Mittl, P.R.E, Madhurantakam, C, Honegger, A, Ewald, C, Zerbe, O, Baker, D, Caflisch, A, Pluckthun, A. | | 登録日 | 2014-10-27 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Computationally Designed Armadillo Repeat Proteins for Modular Peptide Recognition.
J.Mol.Biol., 428, 2016
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5H85
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7ACD
 | | Crystal structure of the human METTL3-METTL14 complex with compound T30 (UZH1a) | | 分子名称: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-~{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 | 2020-09-10 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | METTL3 Inhibitors for Epitranscriptomic Modulation of Cellular Processes.
Chemmedchem, 16, 2021
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7BC2
 | | BAZ2A bromodomain in complex with triazole compound MS04-TN04 | | 分子名称: | 2-(1-methyl-1H-1,2,3-triazol-5-yl)-5-((2-(pyridin-4-yl)pyrrolidin-1-yl)methyl)-1H-benzo[d]imidazole, Bromodomain adjacent to zinc finger domain protein 2A | | 著者 | Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. | | 登録日 | 2020-12-18 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 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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