7ZG1
| BRD4 in complex with PepLite-Tyr | 分子名称: | Bromodomain-containing protein 4, GLYCEROL, Nalpha-acetyl-N-(3-bromoprop-2-yn-1-yl)-L-tyrosinamide | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-04-01 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
|
|
7ZG2
| BRD4 in complex with Acetyl-Lys | 分子名称: | (2S)-2,6-diacetamido-N-methyl-hexanamide, Bromodomain-containing protein 4, GLYCEROL | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-04-01 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
|
|
9F1J
| First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 14 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-[2-[2-[2-[2-[2-[2-[2,6-bis(oxidanylidene)piperidin-3-yl]-1,3-bis(oxidanylidene)isoindol-4-yl]oxyethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-[4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]ethyl]phenoxy]butanamide | 著者 | Balourdas, D.I, Edmonds, A.K, Marsh, G.P, Maple, H.J, Spencer, J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2024-04-19 | 公開日 | 2024-09-11 | 実験手法 | X-RAY DIFFRACTION (1.13003039 Å) | 主引用文献 | First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 14 to be published
|
|
9F1N
| First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 46 | 分子名称: | (2S,4R)-1-[(2S)-2-[9-[2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]ethanoylamino]nonanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-4H-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | 著者 | Balourdas, D.I, Edmonds, A.K, Marsh, G.P, Maple, H.J, Spencer, J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2024-04-19 | 公開日 | 2024-09-11 | 実験手法 | X-RAY DIFFRACTION (1.71000016 Å) | 主引用文献 | First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 46 to be published
|
|
9F1L
| First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 35 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-[2-[2-[(3R)-2,6-bis(oxidanylidene)piperidin-3-yl]-1,3-bis(oxidanylidene)isoindol-4-yl]oxyethyl]-2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]ethanamide | 著者 | Balourdas, D.I, Edmonds, A.K, Marsh, G.P, Maple, H.J, Spencer, J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2024-04-19 | 公開日 | 2024-09-11 | 実験手法 | X-RAY DIFFRACTION (1.30000627 Å) | 主引用文献 | First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 35 to be published
|
|
9FWX
| Crystal structure of BRD4 BD1 with MEN1404BS. | 分子名称: | 3-methyl-~{N}-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine, Bromodomain-containing protein 4 | 著者 | Bader, G, Kessler, D. | 登録日 | 2024-07-01 | 公開日 | 2024-08-07 | 最終更新日 | 2024-08-21 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Probing Protein-Ligand Methyl-pi Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups. J.Med.Chem., 67, 2024
|
|
5O3D
| Human Brd2(BD2) mutant in complex with 9-ET | 分子名称: | (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ... | 著者 | Chan, K.-H, Runcie, A.C, Ciulli, A. | 登録日 | 2017-05-23 | 公開日 | 2018-02-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition. Chem Sci, 9, 2018
|
|
9F1M
| First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 45 | 分子名称: | 1,2-ETHANEDIOL, 1-[2-[7-[2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]ethanoylamino]heptanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, ... | 著者 | Balourdas, D.I, Edmonds, A.K, Marsh, G.P, Maple, H.J, Spencer, J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2024-04-19 | 公開日 | 2024-09-11 | 実験手法 | X-RAY DIFFRACTION (1.90001261 Å) | 主引用文献 | First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 45 to be published
|
|
9F1K
| First bromodomain of BRD4 in complex with ISOX-DUAL based inhibitor 30 | 分子名称: | 1,2-ETHANEDIOL, 2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]-N-(2-methoxyethyl)ethanamide, Bromodomain-containing protein 4 | 著者 | Balourdas, D.I, Edmonds, A.K, Marsh, G.P, Maple, H.J, Spencer, J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2024-04-19 | 公開日 | 2024-09-11 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | First bromodomain of BRD4 in complex with ISOX-DUAL based inhibitor 30 to be published
|
|
9FBY
| |
9FXP
| Crystal structure of BRD4 BD1 with DI00626383. | 分子名称: | 4-methoxy-1,2-benzoxazol-3-amine, Bromodomain-containing protein 4 | 著者 | Bader, G, Reinert, D. | 登録日 | 2024-07-02 | 公開日 | 2024-08-07 | 最終更新日 | 2024-08-21 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Probing Protein-Ligand Methyl-pi Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups. J.Med.Chem., 67, 2024
|
|
9FBX
| |
5O4S
| Crystal structure of the human BRPF1 bromodomain in complex with BZ135 | 分子名称: | 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 | 著者 | Zhu, J, Caflisch, A. | 登録日 | 2017-05-30 | 公開日 | 2018-06-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structure-based discovery of selective BRPF1 bromodomain inhibitors. Eur J Med Chem, 155, 2018
|
|
5O3A
| Human Brd2(BD2) mutant in complex with ET | 分子名称: | Bromodomain-containing protein 2, methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate | 著者 | Chan, K.-H, Runcie, A.C, Ciulli, A. | 登録日 | 2017-05-23 | 公開日 | 2018-02-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition. Chem Sci, 9, 2018
|
|
5O3E
| Human Brd2(BD2) mutant in complex with Me-Am1 | 分子名称: | (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-propanamide, (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, ... | 著者 | Chan, K.-H, Runcie, A.C, Ciulli, A. | 登録日 | 2017-05-23 | 公開日 | 2018-02-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition. Chem Sci, 9, 2018
|
|
5O4T
| |
5O39
| Human Brd2(BD2) mutant in complex with ME | 分子名称: | (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ... | 著者 | Runcie, A.C, Chan, K.-H, Ciulli, A. | 登録日 | 2017-05-23 | 公開日 | 2018-02-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition. Chem Sci, 9, 2018
|
|
5O3F
| Human Brd2(BD2) mutant in complex with ET-Am1 | 分子名称: | (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-butanamide, (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, ... | 著者 | Runcie, A.C, Chan, K.-H, Ciulli, A. | 登録日 | 2017-05-23 | 公開日 | 2018-02-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition. Chem Sci, 9, 2018
|
|
5O5F
| |
5O5H
| |
6MO9
| N-terminal bromodomain of human BRD2 in complex with N-cyclopentyl-7-(3,5-dimethylisoxazol-4-yl)quinoline-5-sulfonamide inhibitor | 分子名称: | Bromodomain-containing protein 2, N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide | 著者 | Lansdon, E.B, Newby, Z.E.R. | 登録日 | 2018-10-04 | 公開日 | 2019-01-23 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor. Bioorg. Med. Chem., 27, 2019
|
|
6MR4
| Crystal structure of the Sth1 bromodomain from S.cerevisiae | 分子名称: | Nuclear protein STH1/NPS1 | 著者 | Seo, H.S, Hashimoto, H, Krolak, A, Debler, E.W, Blus, B.J. | 登録日 | 2018-10-11 | 公開日 | 2019-07-24 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Substrate Affinity and Specificity of the ScSth1p Bromodomain Are Fine-Tuned for Versatile Histone Recognition. Structure, 27, 2019
|
|
6MO8
| N-terminal bromodomain of human BRD2 in complex with 4,4'-(quinoline-5,7-diyl)bis(3,5-dimethylisoxazole) inhibitor | 分子名称: | 5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline, Bromodomain-containing protein 2, SULFATE ION | 著者 | Lansdon, E.B, Newby, Z.E.R. | 登録日 | 2018-10-04 | 公開日 | 2019-01-23 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor. Bioorg. Med. Chem., 27, 2019
|
|
6MNL
| |
6NEY
| Crystal structure of TcBDF5, a bromodomain containing protein from Trypanosoma cruzi | 分子名称: | Uncharacterized protein | 著者 | Loppnau, P, Dong, A, Tempel, W, Lin, Y.H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Vedadi, M, Harding, R.J, Structural Genomics Consortium (SGC) | 登録日 | 2018-12-18 | 公開日 | 2019-03-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Crystal structure of TcBDF5, a bromodomain containing protein from Trypanosoma cruzi To Be Published
|
|