6YNP
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![BU of 6ynp by Molmil](/molmil-images/mine/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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6T02
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![BU of 6t02 by Molmil](/molmil-images/mine/6t02) | Crystal structure of YTHDC1 with fragment 15 (DHU_DC1_169) | Descriptor: | (~{S})-phenyl-[(2~{S})-pyrrolidin-2-yl]methanol, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6SZX
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![BU of 6szx by Molmil](/molmil-images/mine/6szx) | Crystal structure of YTHDC1 with fragment 11 (DHU_DC1_128) | Descriptor: | 6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6WE8
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![BU of 6we8 by Molmil](/molmil-images/mine/6we8) | YTH domain of human YTHDC1 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2020-04-01 | Release date: | 2020-07-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Biochemical and structural basis for YTH domain of human YTHDC1 binding to methylated adenine in DNA. Nucleic Acids Res., 48, 2020
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6YKZ
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![BU of 6ykz by Molmil](/molmil-images/mine/6ykz) | Crystal structure of YTHDC1 with compound DHU_DC1_234 | Descriptor: | SULFATE ION, YTHDC1, ~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-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 (1.2 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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6YL0
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![BU of 6yl0 by Molmil](/molmil-images/mine/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
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![BU of 6ynn by Molmil](/molmil-images/mine/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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7P8B
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![BU of 7p8b by Molmil](/molmil-images/mine/7p8b) | Crystal structure of YTHDC1 with compound YLI_DC1_006 | Descriptor: | 9-cyclopropyl-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1 | Authors: | Bedi, R.K, Li, Y, Dolbois, A, Caflisch, A. | Deposit date: | 2021-07-21 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | 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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7PJQ
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![BU of 7pjq by Molmil](/molmil-images/mine/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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6ZCM
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![BU of 6zcm by Molmil](/molmil-images/mine/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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8Q37
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![BU of 8q37 by Molmil](/molmil-images/mine/8q37) | |
6SZ3
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![BU of 6sz3 by Molmil](/molmil-images/mine/6sz3) | Crystal structure of YTHDC1 with fragment 4 (DHU_DC1_158) | Descriptor: | SULFATE ION, YTH domain-containing protein 1, ~{N}-methyl-5,6,7,8-tetrahydroquinolin-4-amine | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-01 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6YNK
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![BU of 6ynk by Molmil](/molmil-images/mine/6ynk) | Crystal structure of YTHDC1 with compound DHU_DC1_068 | Descriptor: | 6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | 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 (1.3 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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6YOQ
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![BU of 6yoq by Molmil](/molmil-images/mine/6yoq) | |
8Q2Q
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![BU of 8q2q by Molmil](/molmil-images/mine/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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7P87
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![BU of 7p87 by Molmil](/molmil-images/mine/7p87) | Crystal structure of YTHDC1 with compound YLI_DC1_001 | Descriptor: | N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide, SULFATE ION, YTH domain-containing protein 1 | Authors: | Bedi, R.K, Li, Y, Dolbois, A, Caflisch, A. | Deposit date: | 2021-07-21 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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6YKI
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![BU of 6yki by Molmil](/molmil-images/mine/6yki) | Crystal structure of YTHDC1 with compound DHU_DC1_092 | Descriptor: | SULFATE ION, YTHDC1, ~{N}-ethyl-2-[(2~{S},5~{R})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine | 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 (1.3 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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8Q35
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![BU of 8q35 by Molmil](/molmil-images/mine/8q35) | |
8Q31
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![BU of 8q31 by Molmil](/molmil-images/mine/8q31) | |
8Q4V
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![BU of 8q4v by Molmil](/molmil-images/mine/8q4v) | Crystal structure of YTHDC1 in complex with Compound 37 (ZA_356) | Descriptor: | 2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-cyclopropyl-7,8-dihydropurin-6-amine, SULFATE ION, YTH domain-containing protein 1 | Authors: | Bedi, R.K, Zalesak, F, Caflisch, A. | Deposit date: | 2023-08-07 | Release date: | 2023-12-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.36 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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![BU of 8q2u by Molmil](/molmil-images/mine/8q2u) | |
6YNI
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![BU of 6yni by Molmil](/molmil-images/mine/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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6T0X
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![BU of 6t0x by Molmil](/molmil-images/mine/6t0x) | Crystal structure of YTHDC1 with fragment 22 (ACA_DC1_001) | Descriptor: | (3~{S})-~{N}-methylpyrrolidine-3-carboxamide, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-03 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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8Q4U
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![BU of 8q4u by Molmil](/molmil-images/mine/8q4u) | |
8Q4Q
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![BU of 8q4q by Molmil](/molmil-images/mine/8q4q) | |