6T08
| Crystal structure of YTHDC1 with fragment 21 (DHU_DC1_131) | Descriptor: | SULFATE ION, YTHDC1, ~{N}-(1~{H}-imidazol-2-yl)thiophene-2-sulfonamide | 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 (1.41 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6SZ2
| Crystal structure of YTHDC1 with fragment 3 (DHU_DC1_149) | Descriptor: | SULFATE ION, YTH domain-containing protein 1, ~{N}-methyl-1,6-naphthyridin-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 (1.52 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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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
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1HCZ
| LUMEN-SIDE DOMAIN OF REDUCED CYTOCHROME F AT-35 DEGREES CELSIUS | Descriptor: | CYTOCHROME F, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Martinez, S.E, Huang, D, Szczepaniak, A, Cramer, W.A, Smith, J.L. | Deposit date: | 1996-09-18 | Release date: | 1997-03-12 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The heme redox center of chloroplast cytochrome f is linked to a buried five-water chain. Protein Sci., 5, 1996
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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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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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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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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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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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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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6YKE
| Crystal structure of YTHDC1 with compound DHU_DC1_038 | Descriptor: | (2~{R})-2-(3-fluorophenyl)-5,5-dimethyl-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 (1.52 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
| 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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6YL9
| Crystal structure of YTHDC1 with compound DHU_DC1_085 | Descriptor: | 3-[(2~{R},5~{S})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide, 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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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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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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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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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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6YNJ
| Crystal structure of YTHDC1 with compound DHU_DC1_046 | Descriptor: | (2~{R})-2-(2-chlorophenyl)-5,5-dimethyl-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 (1.5 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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6YNM
| Crystal structure of YTHDC1 with compound DHU_DC1_096 | Descriptor: | 1-[(2~{R},5~{S})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol, 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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4AGH
| Structural features of ssDNA binding protein MoSub1 from Magnaporthe oryzae | Descriptor: | MOSUB1, TRANSCRIPTION COFACTOR | Authors: | Huang, J, Zhao, Y, Huang, D, liu, J, Peng, Y. | Deposit date: | 2012-01-27 | Release date: | 2012-08-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.787 Å) | Cite: | Structural Features of the Single-Stranded DNA-Binding Protein Mosub1 from Magnaporthe Oryzae. Acta Crystallogr.,Sect.D, 68, 2012
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4BHM
| The crystal structure of MoSub1-DNA complex reveals a novel DNA binding mode | Descriptor: | 5'-D(*TP*TP*TP*TP*TP*TP*TP*TP)-3', MOSUB1 TRANSCRIPTION COFACTOR, SULFATE ION | Authors: | Huang, J, Liu, H, Zhao, Y, Huang, D, liu, J, Peng, Y. | Deposit date: | 2013-04-04 | Release date: | 2014-04-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Substitution of Tryptophan 89 with Tyrosine Switches the DNA Binding Mode of Pc4. Sci.Rep., 5, 2015
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5KBD
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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: | 2024-10-09 | 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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