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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
7QWU
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BU of 7qwu by Molmil
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
7QWF
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BU of 7qwf by Molmil
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
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
7QYV
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BU of 7qyv by Molmil
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
7QX9
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BU of 7qx9 by Molmil
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
7QZ0
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BU of 7qz0 by Molmil
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
7QVU
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BU of 7qvu by Molmil
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
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
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
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
7QZT
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BU of 7qzt by Molmil
BAZ2A bromodomain in complex with isoquinoline derivative fragment 9
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(3~{S})-pyrrolidin-3-yl]isoquinoline-5-sulfonamide
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 (2.183 Å)
主引用文献Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
5E74
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BU of 5e74 by Molmil
Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH50
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide
著者Lolli, G, Spiliotopoulos, D, Dolbois, A, Nevado, C, Caflisch, A.
登録日2015-10-11
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.783 Å)
主引用文献The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.
J. Med. Chem., 59, 2016
5E73
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BU of 5e73 by Molmil
Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH47
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide
著者Lolli, G, Spiliotopoulos, D, Unzue, A, Nevado, C, Caflisch, A.
登録日2015-10-11
公開日2015-10-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.
J. Med. Chem., 59, 2016
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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