7NI7
| Crystal structure of the human METTL3-METTL14 complex with compound UOZ031 | Descriptor: | (R)-4-((4,4-dimethylpiperidin-1-yl)methyl)-2-hydroxy-N-((3-hydroxy-1-(6-((3-(methylcarbamoyl)benzyl)amino)pyrimidin-4-yl)piperidin-3-yl)methyl)benzamide, ACETATE ION, MAGNESIUM ION, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2021-02-11 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
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7NIA
| Crystal structure of the human METTL3-METTL14 complex with compound UOZ059a | Descriptor: | 4-[[(3R)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-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: | 2021-02-11 | 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
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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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6G8F
| Crystal structure of UTX complexed with GSK-J1 | Descriptor: | 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Esposito, C, Sledz, P, Caflisch, A. | Deposit date: | 2018-04-08 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.043 Å) | Cite: | In Silico Identification of JMJD3 Demethylase Inhibitors. J Chem Inf Model, 58, 2018
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6FUL
| Crystal structure of UTX complexed with 5-hydroxy-4-keto-1-methyl-picolinate | Descriptor: | 1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid, 2-(2-METHOXYETHOXY)ETHANOL, Lysine-specific demethylase 6A, ... | Authors: | Esposito, C, Sledz, P, Caflisch, A. | Deposit date: | 2018-02-27 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | In Silico Identification of JMJD3 Demethylase Inhibitors. J Chem Inf Model, 58, 2018
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6FUK
| Crystal structure of UTX complexed with 5-carboxy-8-hydroxyquinoline | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 8-hydroxyquinoline-5-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | Authors: | Esposito, C, Sledz, P, Caflisch, A. | Deposit date: | 2018-02-27 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | In Silico Identification of JMJD3 Demethylase Inhibitors. J Chem Inf Model, 58, 2018
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6EPX
| The ATAD2 bromodomain in complex with compound 3 | Descriptor: | (2~{R})-2-carbamimidamido-~{N}-(4-ethanoyl-1,3-thiazolidin-2-yl)propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION | Authors: | Sledz, P, Caflisch, A. | Deposit date: | 2017-10-12 | Release date: | 2018-10-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers. Acs Med.Chem.Lett., 11, 2020
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6T0O
| Crystal structure of YTHDC1 with fragment 14 (ACA_DC1_004) | Descriptor: | 2-methyl-3~{H}-pyrido[3,4-d]pyrimidin-4-one, 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 (1.71 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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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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6T11
| Crystal structure of YTHDC1 with fragment 29 (DHU_DC1_218) | Descriptor: | N-methyl-1H-indole-7-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 (1.49 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6FH7
| Crystal Structure of BAZ2B bromodomain in complex with 1-methylpyridinone compound 2 | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-[3-[(4-fluorophenyl)carbonylamino]propyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide | Authors: | Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A. | Deposit date: | 2018-01-12 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains. ChemMedChem, 13, 2018
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6FH6
| Crystal Structure of BAZ2B bromodomain in complex with 1-methylpyridinone compound 1 | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide | Authors: | Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A. | Deposit date: | 2018-01-12 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.082 Å) | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains. ChemMedChem, 13, 2018
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6SZY
| Crystal structure of YTHDC1 with fragment 12 (DHU_DC1_150) | Descriptor: | 4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one, 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 (1.79 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6FGI
| Crystal Structure of BAZ2A bromodomain in complex with 3-amino-2-methylpyridine derivative 2 | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(3~{S})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine | Authors: | Dalle Vedove, A, Marchand, J.-R, Lolli, G, Caflisch, A. | Deposit date: | 2018-01-10 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.551 Å) | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains. ChemMedChem, 13, 2018
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5O97
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6SZ7
| Crystal structure of YTHDC1 with fragment 5 (DHU_DC1_066) | Descriptor: | 5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione, SULFATE ION, YTH domain-containing protein 1 | 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 (2.31 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6FGH
| Crystal Structure of BAZ2A bromodomain in complex with 3-amino-2-methylpyridine derivative 1 | Descriptor: | 2-methyl-~{N}-[(2~{R})-1-methylsulfonylpropan-2-yl]pyridin-3-amine, Bromodomain adjacent to zinc finger domain protein 2A | Authors: | Dalle Vedove, A, Marchand, J.-R, Lolli, G, Caflisch, A. | Deposit date: | 2018-01-10 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains. ChemMedChem, 13, 2018
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6FGL
| Crystal Structure of BAZ2A bromodomain in complex with acetylindole compound UZH47 | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, MAGNESIUM ION, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide | Authors: | Dalle Vedove, A, Unzue, A, Nevado, C, Lolli, G, Caflisch, A. | Deposit date: | 2018-01-11 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains. ChemMedChem, 13, 2018
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6FGG
| Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 5 | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[3-[2-(dimethylamino)ethyl]-2-oxidanylidene-1,3-benzoxazol-5-yl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide | Authors: | Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A. | Deposit date: | 2018-01-10 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains. ChemMedChem, 13, 2018
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6T09
| Crystal structure of YTHDC1 with fragment 24 (PSI_DC1_003) | Descriptor: | SULFATE ION, YTHDC1, ~{N}-pyridin-3-ylethanamide | 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 (1.75 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6T0Z
| Crystal structure of YTHDC1 with fragment 23 (ACA_DC1_005) | Descriptor: | SULFATE ION, YTHDC1, ~{N}-cyclopropyl-1~{H}-imidazole-4-sulfonamide | 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 (1.43 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6T0A
| Crystal structure of YTHDC1 with fragment 25 (PSI_DC1_005) | Descriptor: | (~{R})-azanyl(pyridin-3-yl)methanethiol, 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 (2.02 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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5EWD
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6EKQ
| Crystal structure of the human BRPF1 bromodomain complexed with BZ054 in space group C2 | Descriptor: | NITRATE ION, Peregrin, ~{N}-[4-[[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2017-09-26 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-based discovery of selective BRPF1 bromodomain inhibitors. Eur J Med Chem, 155, 2018
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6EPV
| The ATAD2 bromodomain in complex with compound 5 | Descriptor: | (2~{R})-2-azanyl-~{N}-(4-oxidanylidene-6,7-dihydro-5~{H}-1,3-benzothiazol-2-yl)propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION | Authors: | Sledz, P, Caflisch, A. | Deposit date: | 2017-10-12 | Release date: | 2018-10-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.793 Å) | Cite: | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers. Acs Med.Chem.Lett., 11, 2020
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