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7QYW
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BU of 7qyw by Molmil
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
7QYT
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BU of 7qyt by Molmil
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
7QYU
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BU of 7qyu by Molmil
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
7R0B
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BU of 7r0b by Molmil
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
7QZB
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BU of 7qzb by Molmil
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
7QVV
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BU of 7qvv by Molmil
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
7QX2
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BU of 7qx2 by Molmil
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
7QYO
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BU of 7qyo by Molmil
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
7QZ4
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BU of 7qz4 by Molmil
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
7QZC
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BU of 7qzc by Molmil
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
7R01
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BU of 7r01 by Molmil
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
7QVT
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BU of 7qvt by Molmil
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
7QXL
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BU of 7qxl by Molmil
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
7QYE
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BU of 7qye by Molmil
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
5OWB
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BU of 5owb by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1004
分子名称: 4-methyl-6-oxidanyl-1-benzofuran-3-one, NITRATE ION, Peregrin
著者Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日2017-08-31
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1004
To Be Published
5OWE
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BU of 5owe by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1010
分子名称: 1,3-bis(oxidanyl)benzo[c]chromen-6-one, NITRATE ION, Peregrin
著者Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日2017-08-31
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1010
To Be Published
5OWK
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BU of 5owk by Molmil
Crystal structure of CREBBP bromodomain complexed with DSPB2A002
分子名称: CREB-binding protein, ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate
著者Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日2017-09-01
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.25 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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件を2025-07-09に公開中

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