6FQU
| Crystal structure of CREBBP bromodomain complexd with DR09 | Descriptor: | 1-[3-[3-[3,3-bis(fluoranyl)piperidin-1-yl]phenyl]-4-ethoxy-phenyl]ethanone, CREB-binding protein | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2018-02-14 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules. ACS Med Chem Lett, 9, 2018
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6FGF
| Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 2 | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, ~{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: | 2018-01-10 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains. ChemMedChem, 13, 2018
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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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6FR0
| Crystal structure of CREBBP bromodomain complexd with PB08 | Descriptor: | CREB-binding protein, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(2-ethyl-5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2018-02-15 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules. ACS Med Chem Lett, 9, 2018
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6FRF
| Crystal structure of CREBBP bromodomain complexd with PA10 | Descriptor: | CREB-binding protein, ~{N}-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2018-02-15 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules. ACS Med Chem Lett, 9, 2018
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5OWB
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5E9K
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5EA1
| Crystal Structure of SMARCA4 bromodomain in complex with MPD | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Transcription activator BRG1 | Authors: | Lolli, G, Caflisch, A. | Deposit date: | 2015-10-15 | Release date: | 2016-03-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography. Acs Chem.Biol., 11, 2016
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5DY7
| Crystal structure of the human BRPF1 bromodomain in complex with SEED4 | Descriptor: | 7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1H)-one, NITRATE ION, Peregrin | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2015-09-24 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions. J.Med.Chem., 59, 2016
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5E9L
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5EPR
| Crystal structure of the human BRPF1 bromodomain in complex with SEED11 | Descriptor: | (3~{S})-3-methyl-3,4-dihydro-1~{H}-quinoxalin-2-one, NITRATE ION, Peregrin | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2015-11-12 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions. J.Med.Chem., 59, 2016
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5OWE
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5EVA
| Crystal structure of the human BRPF1 bromodomain in complex with SEED16 | Descriptor: | NITRATE ION, Peregrin, ~{N}-[2,4-bis(fluoranyl)phenyl]-2-methyl-pyrazole-3-carboxamide | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2015-11-19 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions. J.Med.Chem., 59, 2016
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5F3A
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5EV9
| Crystal structure of the human BRPF1 bromodomain in complex with SEED15 | Descriptor: | NITRATE ION, Peregrin, ~{N}-[5-(1~{H}-pyrazol-4-yl)quinolin-8-yl]ethanamide | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2015-11-19 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions. J.Med.Chem., 59, 2016
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5EWW
| Crystal structure of the human BRPF1 bromodomain in complex with SEED21 | Descriptor: | NITRATE ION, Peregrin, ~{N}-[(2~{R})-butan-2-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine | Authors: | Zhu, J, Wiedmer, L, Caflisch, A. | Deposit date: | 2015-11-21 | Release date: | 2016-11-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structure of the human BRPF1 bromodomain in complex with SEED21 To Be Published
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5EWH
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5EWC
| Crystal structure of the human BRPF1 bromodomain in complex with SEED17 | Descriptor: | NITRATE ION, Peregrin, ethyl (2~{R})-2-methyl-3-oxidanylidene-2,4-dihydro-1~{H}-quinoxaline-6-carboxylate | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2015-11-20 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions. J.Med.Chem., 59, 2016
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5EWV
| Crystal structure of the human BRPF1 bromodomain in complex with SEED20 | Descriptor: | 1,5-dimethyl-[1,2,4]triazolo[4,3-a]quinoline, NITRATE ION, Peregrin | Authors: | Zhu, J, Wiedmer, L, Caflisch, A. | Deposit date: | 2015-11-21 | Release date: | 2016-11-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Crystal structure of the human BRPF1 bromodomain in complex with SEED20 To Be Published
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5O4S
| Crystal structure of the human BRPF1 bromodomain in complex with BZ135 | Descriptor: | NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2017-05-30 | Release date: | 2018-06-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-based discovery of selective BRPF1 bromodomain inhibitors. Eur J Med Chem, 155, 2018
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5ETB
| Crystal structure of the human BRPF1 bromodomain in complex with SEED13 | Descriptor: | 1-(7-methyl-1~{H}-indol-3-yl)ethanone, NITRATE ION, Peregrin | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2015-11-17 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions. J.Med.Chem., 59, 2016
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5ETD
| Crystal structure of the human BRPF1 bromodomain in complex with SEED14 | Descriptor: | 1-(1~{H}-indol-3-yl)ethanone, NITRATE ION, Peregrin | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2015-11-17 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions. J.Med.Chem., 59, 2016
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6SZT
| Crystal structure of YTHDC1 with fragment 10 (DHU_DC1_076) | Descriptor: | 6-[[methyl(thiophen-3-ylmethyl)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 (1.5 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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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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6SZ8
| Crystal structure of YTHDC1 with fragment 6 (DHU_DC1_034) | Descriptor: | 6-pyrrolidin-1-yl-5~{H}-pyrimidine-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 (1.47 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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