6RT5
| |
8BS6
| |
8BS5
| |
8BS4
| |
4TQN
| |
7O0L
| Crystal structure of the human METTL3-METTL14 complex bound to Compound 8 (ADO_AC_093) | Descriptor: | 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, ... | Authors: | Bedi, R.K, Dolbois, A, Caflisch, A. | Deposit date: | 2021-03-26 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors. J.Med.Chem., 64, 2021
|
|
7O27
| Crystal structure of the human METTL3-METTL14 complex bound to Compound 17 (ADO_AE_005) | Descriptor: | 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, ... | Authors: | Bedi, R.K, Dolbois, A, Caflisch, A. | Deposit date: | 2021-03-30 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the human METTL3-METTL14 complex bound to Compound 17 (ADO_AE_005) To Be Published
|
|
7O0M
| Crystal structure of the human METTL3-METTL14 complex bound to Compound 9 (ADO_AD_023) | Descriptor: | 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, ... | Authors: | Bedi, R.K, Dolbois, A, Caflisch, A. | Deposit date: | 2021-03-26 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Crystal structure of the human METTL3-METTL14 complex bound to Compound 9 (ADO_AD_023) To Be Published
|
|
7O0Q
| Crystal structure of the human METTL3-METTL14 complex bound to Compound 12 (ADO_AD_066) | Descriptor: | 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, ... | Authors: | Bedi, R.K, Dolbois, A, Caflisch, A. | Deposit date: | 2021-03-26 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Crystal structure of the human METTL3-METTL14 complex bound to Compound 12 (ADO_AD_066) To Be Published
|
|
7OEK
| Crystal structure of the human METTL3-METTL14 complex with compound UOZ091 | Descriptor: | 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, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2021-05-03 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
|
|
7OEJ
| Crystal structure of the human METTL3-METTL14 complex with compound UOZ090 | Descriptor: | 4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3R)-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2021-05-03 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
|
|
6EQ4
| MTH1 in complex with fragment 8 | Descriptor: | 4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2017-10-12 | Release date: | 2018-10-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
|
|
6EQ6
| MTH1 in complex with fragment 1 | Descriptor: | 3-pyrrolidin-1-ylquinoxalin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | Authors: | Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2017-10-12 | Release date: | 2018-10-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
|
|
6EQ2
| MTH1 in complex with fragment 6 | Descriptor: | 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase | Authors: | Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2017-10-12 | Release date: | 2018-10-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
|
|
6EQ7
| MTH1 in complex with fragment 11 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, 7-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine, SULFATE ION | Authors: | Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2017-10-12 | Release date: | 2018-10-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
|
|
6EPT
| The ATAD2 bromodomain in complex with compound 12 | Descriptor: | (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, ... | Authors: | Sledz, P, Caflisch, A. | Deposit date: | 2017-10-12 | Release date: | 2018-10-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers. Acs Med.Chem.Lett., 11, 2020
|
|
6EPJ
| The ATAD2 bromodomain in complex with compound 6 | Descriptor: | (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 | Authors: | Sledz, P, Caflisch, A. | Deposit date: | 2017-10-11 | Release date: | 2018-10-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.652 Å) | Cite: | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers. Acs Med.Chem.Lett., 11, 2020
|
|
7Z7F
| Crystal structure of YTHDF2 with compound YLI_DC1_005 | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | Authors: | Nai, F, Li, Y, Dolbois, A, Caflisch, A. | Deposit date: | 2022-03-15 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
|
|
7Z54
| Crystal structure of YTHDF2 with compound YLI_DC1_006 | Descriptor: | 9-cyclopropyl-~{N}-methyl-purin-6-amine, CHLORIDE ION, GLYCEROL, ... | Authors: | Nai, F, Li, Y, Dolbois, A, Caflisch, A. | Deposit date: | 2022-03-07 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
|
|
7Z7B
| Crystal structure of YTHDF2 with compound YLI_DC1_003 | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | Authors: | Nai, F, Li, Y, Dolbois, A, Caflisch, A. | Deposit date: | 2022-03-15 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
|
|
4D4E
| Crystal structure of computationally designed armadillo repeat proteins for modular peptide recognition. | Descriptor: | ARMADILLO REPEAT PROTEIN ARM00016, GLYCEROL | Authors: | 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. | Deposit date: | 2014-10-28 | Release date: | 2016-01-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Computationally Designed Armadillo Repeat Proteins for Modular Peptide Recognition. J.Mol.Biol., 428, 2016
|
|
4D49
| Crystal structure of computationally designed armadillo repeat proteins for modular peptide recognition. | Descriptor: | ARGININE, ARMADILLO REPEAT PROTEIN ARM00027, POLY ARG DECAPEPTIDE | Authors: | 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. | Deposit date: | 2014-10-27 | Release date: | 2016-01-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Computationally Designed Armadillo Repeat Proteins for Modular Peptide Recognition. J.Mol.Biol., 428, 2016
|
|
5H85
| |
7ACD
| Crystal structure of the human METTL3-METTL14 complex with compound T30 (UZH1a) | Descriptor: | 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, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2020-09-10 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | METTL3 Inhibitors for Epitranscriptomic Modulation of Cellular Processes. Chemmedchem, 16, 2021
|
|
7BC2
| BAZ2A bromodomain in complex with triazole compound MS04-TN04 | Descriptor: | 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 | Authors: | Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. | Deposit date: | 2020-12-18 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
|
|