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Crystal Structure of BAZ2B bromodomain in complex with fragment F39
分子名称:	1H-imidazol-5-ylmethanol, Bromodomain adjacent to zinc finger domain protein 2B
著者	Lolli, G, Caflisch, A.
登録日	2015-09-25
公開日	2016-03-16
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.65 Å)
主引用文献	High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography. Acs Chem.Biol., 11, 2016

5DYA

Crystal structure of the human BRPF1 bromodomain in complex with SEED5
分子名称:	(2R)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid, NITRATE ION, Peregrin
著者	Zhu, J, Caflisch, A.
登録日	2015-09-24
公開日	2016-05-25
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.65 Å)
主引用文献	Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions. J.Med.Chem., 59, 2016

5E3D

Crystal structure of the human BRPF1 bromodomain in complex with SEED7
分子名称:	2,8-dithioxo-1,2,3,7,8,9-hexahydro-6H-purin-6-one, NITRATE ION, Peregrin
著者	Zhu, J, Caflisch, A.
登録日	2015-10-02
公開日	2016-05-25
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.71 Å)
主引用文献	Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions. J.Med.Chem., 59, 2016

5DY7

Crystal structure of the human BRPF1 bromodomain in complex with SEED4
分子名称:	7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1H)-one, NITRATE ION, Peregrin
著者	Zhu, J, Caflisch, A.
登録日	2015-09-24
公開日	2016-05-25
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.69 Å)
主引用文献	Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions. J.Med.Chem., 59, 2016

5DYX

Crystal Structure of BAZ2B bromodomain in complex with fragment F59
分子名称:	ADENINE, Bromodomain adjacent to zinc finger domain protein 2B
著者	Lolli, G, Caflisch, A.
登録日	2015-09-25
公開日	2016-03-16
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.85 Å)
主引用文献	High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography. Acs Chem.Biol., 11, 2016

5E9K

Crystal Structure of BAZ2B bromodomain in complex with fragment F275
分子名称:	2-chloro-1H-imidazole, Bromodomain adjacent to zinc finger domain protein 2B
著者	Lolli, G, Caflisch, A.
登録日	2015-10-15
公開日	2016-03-16
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (2.067 Å)
主引用文献	High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography. Acs Chem.Biol., 11, 2016

5EA1

Crystal Structure of SMARCA4 bromodomain in complex with MPD
分子名称:	(4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Transcription activator BRG1
著者	Lolli, G, Caflisch, A.
登録日	2015-10-15
公開日	2016-03-16
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography. Acs Chem.Biol., 11, 2016

5E9L

Crystal Structure of BAZ2B bromodomain in complex with fragment F103
分子名称:	1H-indazol-6-amine, Bromodomain adjacent to zinc finger domain protein 2B
著者	Lolli, G, Caflisch, A.
登録日	2015-10-15
公開日	2016-03-16
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography. Acs Chem.Biol., 11, 2016

5DYC

Crystal structure of the human BRPF1 bromodomain in complex with SEED6
分子名称:	7-bromo-3,4-dihydroquinoxalin-2(1H)-one, NITRATE ION, Peregrin
著者	Zhu, J, Caflisch, A.
登録日	2015-09-24
公開日	2016-05-25
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.65 Å)
主引用文献	Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions. J.Med.Chem., 59, 2016

5E9I

Crystal Structure of BAZ2B bromodomain in complex with fragment F60
分子名称:	1H-indol-6-ol, Bromodomain adjacent to zinc finger domain protein 2B
著者	Lolli, G, Caflisch, A.
登録日	2015-10-15
公開日	2016-03-16
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (1.96 Å)
主引用文献	High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography. Acs Chem.Biol., 11, 2016

5E9M

Crystal Structure of BAZ2B bromodomain in complex with N-methyltrimethylacetamide
分子名称:	Bromodomain adjacent to zinc finger domain protein 2B, N-methyltrimethylacetamide
著者	Lolli, G, Caflisch, A.
登録日	2015-10-15
公開日	2016-03-16
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.778 Å)
主引用文献	High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography. Acs Chem.Biol., 11, 2016

5L97

Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 3
分子名称:	2-methyl-~{N}-[(2~{S})-2-methylsulfonylcyclopentyl]pyridin-3-amine, Bromodomain adjacent to zinc finger domain protein 2B
著者	Lolli, G, Marchand, J.-R, Caflisch, A.
登録日	2016-06-09
公開日	2016-10-26
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (2.05 Å)
主引用文献	Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation. J. Med. Chem., 59, 2016

5L96

Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 1
分子名称:	1,2-ETHANEDIOL, 2-methyl-~{N}-[(2~{R})-1-methylsulfonylpropan-2-yl]pyridin-3-amine, Bromodomain adjacent to zinc finger domain protein 2B
著者	Lolli, G, Marchand, J.-R, Caflisch, A.
登録日	2016-06-09
公開日	2016-10-26
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (2.15 Å)
主引用文献	Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation. J. Med. Chem., 59, 2016

5L8U

Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 5
分子名称:	Bromodomain adjacent to zinc finger domain protein 2B, TRIETHYLENE GLYCOL, ~{N}-[(1~{S})-1-(3,4-dihydro-2~{H}-1,5-benzodioxepin-7-yl)ethyl]-2-methyl-pyridin-3-amine
著者	Lolli, G, Marchand, J.-R, Caflisch, A.
登録日	2016-06-08
公開日	2016-10-26
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.85 Å)
主引用文献	Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation. J. Med. Chem., 59, 2016

5L99

Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 6
分子名称:	2-methyl-~{N}-[(1~{S})-1-thieno[3,2-b]pyridin-6-ylethyl]pyridin-3-amine, Bromodomain adjacent to zinc finger domain protein 2B
著者	Lolli, G, Marchand, J.-R, Caflisch, A.
登録日	2016-06-09
公開日	2016-10-26
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation. J. Med. Chem., 59, 2016

5L8T

Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 2
分子名称:	Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-[(3~{R})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine
著者	Lolli, G, Marchand, J.-R, Caflisch, A.
登録日	2016-06-08
公開日	2016-10-26
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.85 Å)
主引用文献	Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation. J. Med. Chem., 59, 2016

5L98

Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 4
分子名称:	1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-[(1~{S})-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-pyridin-3-amine
著者	Lolli, G, Marchand, J.-R, Caflisch, A.
登録日	2016-06-09
公開日	2016-10-26
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (2.263 Å)
主引用文献	Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation. J. Med. Chem., 59, 2016

5MGK

Crystal Structure of BAZ2A bromodomain in complex with 4-propionyl-pyrrole derivative 2
分子名称:	Bromodomain adjacent to zinc finger domain protein 2A, methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate
著者	Lolli, G, Spiliotopoulos, D, Caflisch, A.
登録日	2016-11-21
公開日	2017-04-12
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (2.301 Å)
主引用文献	Discovery of BAZ2A bromodomain ligands. Eur J Med Chem, 139, 2017

5MPZ

Crystal structure of CREBBP bromodomain complexed with CBP007
分子名称:	CREB-binding protein, methyl 2-oxidanylidene-3~{H}-1,3-benzoxazole-6-carboxylate
著者	Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日	2016-12-19
公開日	2017-05-10
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (1.4 Å)
主引用文献	Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain. Bioorg. Med. Chem. Lett., 27, 2017

5MQG

Crystal structure of CREBBP bromodomain complexed with CBP015
分子名称:	1-(4-azanyl-3-methoxy-phenyl)ethanone, CREB-binding protein
著者	Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日	2016-12-20
公開日	2017-04-19
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (1.35 Å)
主引用文献	Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain. Bioorg. Med. Chem. Lett., 27, 2017

5MGG

Crystal Structure of BAZ2B bromodomain in complex with 4-chloropyridine derivative 3
分子名称:	4-chloranyl-~{N}-methyl-pyridine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2B
著者	Lolli, G, Spiliotopoulos, D, Caflisch, A.
登録日	2016-11-21
公開日	2017-04-12
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Discovery of BAZ2A bromodomain ligands. Eur J Med Chem, 139, 2017

5MGJ

Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridine derivative 1
分子名称:	Bromodomain adjacent to zinc finger domain protein 2A, ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate
著者	Lolli, G, Spiliotopoulos, D, Caflisch, A.
登録日	2016-11-21
公開日	2017-04-12
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Discovery of BAZ2A bromodomain ligands. Eur J Med Chem, 139, 2017

5MGL

Crystal Structure of BAZ2A bromodomain in complex with 4-chloropyridine derivative 3
分子名称:	4-chloranyl-~{N}-methyl-pyridine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A
著者	Lolli, G, Spiliotopoulos, D, Caflisch, A.
登録日	2016-11-21
公開日	2017-04-12
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (2.651 Å)
主引用文献	Discovery of BAZ2A bromodomain ligands. Eur J Med Chem, 139, 2017

5MGE

Crystal structure of BAZ2B bromodomain in complex with 1-methylpyridine derivative 1
分子名称:	Bromodomain adjacent to zinc finger domain protein 2B, ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate
著者	Lolli, G, Spiliotopoulos, D, Caflisch, A.
登録日	2016-11-21
公開日	2017-04-12
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.95 Å)
主引用文献	Discovery of BAZ2A bromodomain ligands. Eur J Med Chem, 139, 2017

5MWG

Crystal structure of the human BRPF1 bromodomain in complex with BZ091
分子名称:	NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
著者	Zhu, J, Caflisch, A.
登録日	2017-01-18
公開日	2018-02-14
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (1.5 Å)
主引用文献	Structure-based discovery of selective BRPF1 bromodomain inhibitors. Eur J Med Chem, 155, 2018

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