7P8F
| Crystal structure of YTHDC1 with compound YLI_DC1_008 | Descriptor: | SULFATE ION, YTH domain-containing protein 1, ~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine | Authors: | Bedi, R.K, Li, Y, Caflisch, A. | Deposit date: | 2021-07-21 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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7PJA
| Crystal structure of YTHDC1 with compound PSI_DC1_002 | Descriptor: | 6-methyl-3H-pyridin-2-one, GLYCEROL, SULFATE ION, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2021-08-23 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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7PJP
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7PJ7
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7PJQ
| Crystal structure of YTHDC1 with compound T96 | Descriptor: | DI(HYDROXYETHYL)ETHER, SULFATE ION, YTH domain-containing protein 1, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2021-08-24 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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7PJ9
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7PJ8
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6TTV
| Crystal structure of the human METTL3-METTL14 complex bound to Compound 3 (ASI_M3M_138) | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-12-30 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer. Chemmedchem, 15, 2020
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6TTW
| Crystal structure of the human METTL3-METTL14 complex bound to Compound 4 (ASI_M3M_047) | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-piperidin-4-yl-oxolane-2-carboxamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-12-30 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer. Chemmedchem, 15, 2020
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6TTT
| Crystal structure of the human METTL3-METTL14 complex bound to Compound 2 (ASI_M3M_140) | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-12-30 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer. Chemmedchem, 15, 2020
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6TTX
| Crystal structure of the human METTL3-METTL14 complex bound to Compound 5 (ASI_M3M_051) | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-(piperidin-4-ylmethyl)oxolane-2-carboxamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-12-30 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer. Chemmedchem, 15, 2020
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6YL0
| Crystal structure of YTHDC1 with compound T_96 | Descriptor: | DI(HYDROXYETHYL)ETHER, SULFATE ION, YTHDC1, ... | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | Deposit date: | 2020-04-06 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of YTHDC1 with compound T_96 To Be Published
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6YNN
| Crystal structure of YTHDC1 with compound DHU_DC1_135 | Descriptor: | 6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | Deposit date: | 2020-04-14 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | 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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6Y4G
| Crystal structure of the human METTL3-METTL14 complex bound to Sinefungin | Descriptor: | ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit, ... | Authors: | Bedi, R.K, Omori, E, Caflisch, A. | Deposit date: | 2020-02-20 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer. Chemmedchem, 15, 2020
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6YNO
| Crystal structure of YTHDC1 with compound DHU_DC1_139 | Descriptor: | 6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | Deposit date: | 2020-04-14 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 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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6YM2
| Crystal structure of YTHDC1 with compound ADO_AC_25 | Descriptor: | SULFATE ION, YTHDC1, ~{N},9-dimethylpurin-6-amine | Authors: | Bedi, R.K, Li, Y, Dolbois, A, Wiedmer, L, Caflisch, A. | Deposit date: | 2020-04-07 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of YTHDC1 with compound ADO_AC_25 To Be Published
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6YM8
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6ZD9
| Crystal structure of YTHDC1 apo purified using GST tag | Descriptor: | DI(HYDROXYETHYL)ETHER, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Caflisch, A. | Deposit date: | 2020-06-14 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | 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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6ZD7
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6ZCN
| Crystal structure of YTHDC1 with m6A | Descriptor: | N6-METHYLADENOSINE-5'-MONOPHOSPHATE, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | Deposit date: | 2020-06-11 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 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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6ZD4
| Crystal structure of YTHDC1 S378A mutant | Descriptor: | SULFATE ION, YTH domain containing 1 | Authors: | Bedi, R.K, Li, Y, Caflisch, A. | Deposit date: | 2020-06-13 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 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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6ZCM
| Crystal structure of YTHDC1 with compound DHU_DC1_180 | Descriptor: | 6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | Deposit date: | 2020-06-11 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | 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 | Descriptor: | DI(HYDROXYETHYL)ETHER, SULFATE ION, YTH domain containing 1 | Authors: | Bedi, R.K, Li, Y, Caflisch, A. | Deposit date: | 2020-06-13 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | 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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6ZD5
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6ZDA
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