8Q2S
 
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8Q35
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8Q39
 | | Crystal structure of YTHDC1 in complex with Compound 21 (ZA_515) | | Descriptor: | 2-chloranyl-N-methyl-9-[[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]purin-6-amine, SULFATE ION, YTH domain-containing protein 1 | | Authors: | Bedi, R.K, Zalesak, F, Caflisch, A. | | Deposit date: | 2023-08-03 | | Release date: | 2023-12-06 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
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8Q2U
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8Q37
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8Q2W
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8Q2Q
 | | Crystal structure of YTHDC1 in complex with Compound 2b (YL_32) | | Descriptor: | 2-chloranyl-~{N},9-dimethyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1 | | Authors: | Bedi, R.K, Li, Y, Caflisch, A. | | Deposit date: | 2023-08-03 | | Release date: | 2023-12-06 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
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8Q32
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8Q38
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8Q2T
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8Q33
 | | Crystal structure of YTHDC1 in complex with Compound 15 (ZA_343) | | Descriptor: | SULFATE ION, YTH domain-containing protein 1, ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]-2,2,2-tris(fluoranyl)ethanamide | | Authors: | Bedi, R.K, Zalesak, F, Caflisch, A. | | Deposit date: | 2023-08-03 | | Release date: | 2023-12-06 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
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8Q31
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6YKJ
 | | Crystal structure of YTHDC1 with compound DHU_DC1_125 | | Descriptor: | SULFATE ION, YTHDC1, ~{N}-methyl-4-(methylamino)pyridine-2-carboxamide | | 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 (1.6 Å) | | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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6YNI
 | | Crystal structure of YTHDC1 with compound DHU_DC1_036 | | Descriptor: | (2~{R},3~{R})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine, SULFATE ION, YTHDC1 | | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | Deposit date: | 2020-04-13 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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6YNL
 | | Crystal structure of YTHDC1 with compound DHU_DC1_078 | | Descriptor: | 3-[(2~{R})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{N}-(methylcarbamoyl)propanamide, 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 (1.5 Å) | | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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6YNP
 | | Crystal structure of YTHDC1 with compound T96C1 | | Descriptor: | CHLORIDE ION, 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 (1.1 Å) | | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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6YL8
 | | Crystal structure of YTHDC1 with compound DHU_DC1_011 | | Descriptor: | (2~{R},5~{S})-2-(2-chlorophenyl)-5-methyl-morpholine, 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 (1.5 Å) | | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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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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7YX6
 | | Crystal structure of YTHDF2 with compound YLI_DF_027 | | Descriptor: | 6-ethyl-1H-pyrimidine-2,4-dione, GLYCEROL, SULFATE ION, ... | | Authors: | Nai, F, Li, Y, Caflisch, A. | | Deposit date: | 2022-02-15 | | Release date: | 2022-02-23 | | 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
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7YXE
 | | Crystal structure of YTHDF2 with compound ZA_143 | | Descriptor: | GLYCEROL, SODIUM ION, SULFATE ION, ... | | Authors: | Nai, F, Zalesak, F, Li, Y, Caflisch, A. | | Deposit date: | 2022-02-15 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 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 | | Descriptor: | GLYCEROL, RNA (5'-R(P*(6MZ)P*CP*U)-3'), SULFATE ION, ... | | Authors: | Nai, F, Nachawati, R, Li, Y, Caflisch, A. | | Deposit date: | 2022-02-25 | | Release date: | 2022-03-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 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 | | Descriptor: | 6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione, CHLORIDE ION, GLYCEROL, ... | | Authors: | Nai, F, Li, Y, Caflisch, A. | | Deposit date: | 2022-03-04 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | 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 | | Descriptor: | CHLORIDE ION, GLYCEROL, N-METHYL-9H-PURIN-6-AMINE, ... | | Authors: | Nai, F, Li, Y, Caflisch, A. | | Deposit date: | 2022-02-12 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
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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
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7Z8P
 | | Crystal structure of YTHDF2 with compound ZA_166 | | Descriptor: | 3-bromanyl-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine, GLYCEROL, SULFATE ION, ... | | Authors: | Nai, F, Zalesak, F, Li, Y, Caflisch, A. | | Deposit date: | 2022-03-18 | | Release date: | 2022-03-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
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