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7QZ0
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BU of 7qz0 by Molmil
BAZ2A bromodomain in complex with acetylpyrrole derivative compound 83
Descriptor: 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
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-01-30
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 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
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-01-29
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
7QZI
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BU of 7qzi by Molmil
BAZ2A bromodomain in complex with acetylpyrrole derivative compound 113
Descriptor: (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, ...
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-01-31
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.98 Å)
Cite: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
Descriptor: 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
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-01-31
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.151 Å)
Cite: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
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(3~{S})-pyrrolidin-3-yl]isoquinoline-5-sulfonamide
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-01-31
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.183 Å)
Cite: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
Descriptor: 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, ...
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-02-01
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.345 Å)
Cite: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
Descriptor: 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
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-01-28
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.983 Å)
Cite: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
Descriptor: 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
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-01-30
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: (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
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-01-31
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 1-[4-(4-ethanoylpiperazin-1-yl)phenyl]guanidine, Bromodomain adjacent to zinc finger domain protein 2A, ...
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-02-01
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.256 Å)
Cite: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
Descriptor: 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
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-01-28
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
6FGI
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BU of 6fgi by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 3-amino-2-methylpyridine derivative 2
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(3~{S})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine
Authors:Dalle Vedove, A, Marchand, J.-R, Lolli, G, Caflisch, A.
Deposit date:2018-01-10
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FGH
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BU of 6fgh by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 3-amino-2-methylpyridine derivative 1
Descriptor: 2-methyl-~{N}-[(2~{R})-1-methylsulfonylpropan-2-yl]pyridin-3-amine, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Dalle Vedove, A, Marchand, J.-R, Lolli, G, Caflisch, A.
Deposit date:2018-01-10
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
6FGL
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BU of 6fgl by Molmil
Crystal Structure of BAZ2A bromodomain in complex with acetylindole compound UZH47
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, MAGNESIUM ION, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide
Authors:Dalle Vedove, A, Unzue, A, Nevado, C, Lolli, G, Caflisch, A.
Deposit date:2018-01-11
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
5OWE
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BU of 5owe by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1010
Descriptor: 1,3-bis(oxidanyl)benzo[c]chromen-6-one, NITRATE ION, Peregrin
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2017-08-31
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: CREB-binding protein, ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2017-09-01
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.25 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
5OWB
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BU of 5owb by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1004
Descriptor: 4-methyl-6-oxidanyl-1-benzofuran-3-one, NITRATE ION, Peregrin
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2017-08-31
Release date:2018-07-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1004
To Be Published
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数据于2024-10-09公开中

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