5MMG
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![BU of 5mmg by Molmil](/molmil-images/mine/5mmg) | |
5MPN
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![BU of 5mpn by Molmil](/molmil-images/mine/5mpn) | Crystal structure of CREBBP bromodomain complexed with FA26 | 分子名称: | 1,2-ETHANEDIOL, 1-[4-ethoxy-3-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone, CREB-binding protein | 著者 | Zhu, J, Caflisch, A. | 登録日 | 2016-12-16 | 公開日 | 2018-01-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | 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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7QVV
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![BU of 7qvv by Molmil](/molmil-images/mine/7qvv) | BAZ2A bromodomain in complex with pyridone derivative fragment 36 | 分子名称: | 5-(4-azanylpiperidin-1-yl)carbonyl-1~{H}-pyridin-2-one, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-23 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QX2
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![BU of 7qx2 by Molmil](/molmil-images/mine/7qx2) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 63 | 分子名称: | 1-[5-[2-[(4-azanylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-26 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.428 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QWY
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![BU of 7qwy by Molmil](/molmil-images/mine/7qwy) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 61 | 分子名称: | 1-[4-ethyl-2-methyl-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-26 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.443 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QYT
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![BU of 7qyt by Molmil](/molmil-images/mine/7qyt) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 80 | 分子名称: | 3-methyl-1-(2-piperazin-1-yl-1,3-thiazol-4-yl)-2,5,6,7-tetrahydroisoindol-4-one, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-29 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QYO
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![BU of 7qyo by Molmil](/molmil-images/mine/7qyo) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 79 | 分子名称: | 1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-28 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (0.983 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QZB
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![BU of 7qzb by Molmil](/molmil-images/mine/7qzb) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 98 | 分子名称: | 1,2-ETHANEDIOL, 3-methyl-1-[2-[4-[(4-methyl-1~{H}-pyrazol-3-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2,5,6,7-tetrahydroisoindol-4-one, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-31 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.151 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QZ4
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![BU of 7qz4 by Molmil](/molmil-images/mine/7qz4) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 87 | 分子名称: | 1,2-ETHANEDIOL, 1-[4-ethyl-5-[2-[4-[(1-ethylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2-methyl-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-30 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QVT
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![BU of 7qvt by Molmil](/molmil-images/mine/7qvt) | BAZ2A bromodomain in complex with picolinamide derivative fragment 13 | 分子名称: | 1,2-ETHANEDIOL, 4-piperidin-4-yloxypyridine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-23 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QXL
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![BU of 7qxl by Molmil](/molmil-images/mine/7qxl) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 77 | 分子名称: | 1-[2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-4-[3,3,3-tris(fluoranyl)propyl]-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-26 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QYU
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![BU of 7qyu by Molmil](/molmil-images/mine/7qyu) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 88 | 分子名称: | 2-[4-[[4-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,2,3-triazol-1-yl]ethanamide, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-29 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QZI
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![BU of 7qzi by Molmil](/molmil-images/mine/7qzi) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 113 | 分子名称: | (2~{R})-~{N}-(2,2-dimethylpropyl)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazine-2-carboxamide, 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2A, ... | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-31 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QZC
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![BU of 7qzc by Molmil](/molmil-images/mine/7qzc) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 104 | 分子名称: | (2R)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-[2-(1,2-oxazol-5-yl)ethyl]piperazine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A, MAGNESIUM ION | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-31 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QWU
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![BU of 7qwu by Molmil](/molmil-images/mine/7qwu) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 44 | 分子名称: | 1,2-ETHANEDIOL, 1-[5-[2-(3-azanylpropyl)-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-25 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QWF
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![BU of 7qwf by Molmil](/molmil-images/mine/7qwf) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 45 | 分子名称: | 1,2-ETHANEDIOL, 1-[4-ethyl-2-methyl-5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A, ... | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-25 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QYE
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![BU of 7qye by Molmil](/molmil-images/mine/7qye) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 78 | 分子名称: | 1-[4-cyclopentyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-28 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QYV
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![BU of 7qyv by Molmil](/molmil-images/mine/7qyv) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 109 | 分子名称: | (2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-(4-oxidanylbutyl)piperazine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A, MAGNESIUM ION | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-29 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QX9
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![BU of 7qx9 by Molmil](/molmil-images/mine/7qx9) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 65 | 分子名称: | 3-[[4-(4-ethanoyl-3,5-dimethyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-26 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QZ0
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![BU of 7qz0 by Molmil](/molmil-images/mine/7qz0) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 83 | 分子名称: | 2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine, Bromodomain adjacent to zinc finger domain protein 2A, MAGNESIUM ION | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-30 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QVU
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![BU of 7qvu by Molmil](/molmil-images/mine/7qvu) | BAZ2A bromodomain in complex with acetylpyrrole derivative fragment 25 | 分子名称: | 2-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]guanidine, Bromodomain adjacent to zinc finger domain protein 2A, MAGNESIUM ION | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-23 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QYW
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![BU of 7qyw by Molmil](/molmil-images/mine/7qyw) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 111 | 分子名称: | (2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A, MAGNESIUM ION | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-29 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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5NLK
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![BU of 5nlk by Molmil](/molmil-images/mine/5nlk) | Crystal structure of CREBBP bromodomain complexd with US13A | 分子名称: | CREB-binding protein, ~{N}-[3-acetamido-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide | 著者 | Zhu, J, Caflisch, A. | 登録日 | 2017-04-04 | 公開日 | 2018-02-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple). ACS Cent Sci, 4, 2018
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7R0B
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![BU of 7r0b by Molmil](/molmil-images/mine/7r0b) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 47 | 分子名称: | 1,2-ETHANEDIOL, 1-[4-ethyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A, ... | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-02-01 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.345 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7R01
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![BU of 7r01 by Molmil](/molmil-images/mine/7r01) | BAZ2A bromodomain in complex with N-acetylpiperazine derivative fragment 18 | 分子名称: | 1,2-ETHANEDIOL, 1-[4-(4-ethanoylpiperazin-1-yl)phenyl]guanidine, Bromodomain adjacent to zinc finger domain protein 2A, ... | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-02-01 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.256 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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