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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

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

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

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

5MQE

Crystal structure of CREBBP bromodomain complexed with CBP006
分子名称:	4-bromanyl-~{N}-methyl-1~{H}-pyrrole-2-carboxamide, 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 (1.65 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

5MQK

Crystal structure of CREBBP bromodomain complexed with CBP019
分子名称:	1-(1-methylindol-3-yl)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 (1.53 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

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

5MWH

Crystal structure of the human BRPF1 bromodomain in complex with BZ089
分子名称:	NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide
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 (1.65 Å)
主引用文献	Structure-based discovery of selective BRPF1 bromodomain inhibitors. Eur J Med Chem, 155, 2018

5MWZ

Crystal structure of the human BRPF1 bromodomain in complex with BZ073
分子名称:	Peregrin, ~{N}-[1,4-diethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-2-(4-methylpiperazin-1-yl)ethanamide
著者	Zhu, J, Caflisch, A.
登録日	2017-01-20
公開日	2018-02-14
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (1.25 Å)
主引用文献	Structure-based discovery of selective BRPF1 bromodomain inhibitors. Eur J Med Chem, 155, 2018

5EQ1

Crystal structure of the human BRPF1 bromodomain in complex with SEED12
分子名称:	5-METHYL-1,2,4-TRIAZOLO[3,4-B]BENZOTHIAZOLE, NITRATE ION, Peregrin
著者	Zhu, J, Caflisch, A.
登録日	2015-11-12
公開日	2016-05-25
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.55 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

5MGM

Crystal Structure of BAZ2A bromodomain in complex with acetophenone derivative 4
分子名称:	1-(3-pyrimidin-2-yloxyphenyl)ethanone, 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 (2.8 Å)
主引用文献	Discovery of BAZ2A bromodomain ligands. Eur J Med Chem, 139, 2017

5MGF

Crystal Structure of BAZ2B bromodomain in complex with 4-propionyl-pyrrole derivative 2
分子名称:	Bromodomain adjacent to zinc finger domain protein 2B, 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 (1.9 Å)
主引用文献	Discovery of BAZ2A bromodomain ligands. Eur J Med Chem, 139, 2017

5EM3

Crystal structure of the human BRPF1 bromodomain in complex with SEED9
分子名称:	NITRATE ION, Peregrin, quinolin-5-ol
著者	Zhu, J, Caflisch, A.
登録日	2015-11-05
公開日	2016-06-08
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.4 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

5EPS

Crystal structure of the human BRPF1 bromodomain in complex with SEED10
分子名称:	1-methyl-3,4-dihydroquinoxalin-2-one, NITRATE ION, Peregrin
著者	Zhu, J, Caflisch, A.
登録日	2015-11-12
公開日	2016-05-25
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.47 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

5ETB

Crystal structure of the human BRPF1 bromodomain in complex with SEED13
分子名称:	1-(7-methyl-1~{H}-indol-3-yl)ethanone, NITRATE ION, Peregrin
著者	Zhu, J, Caflisch, A.
登録日	2015-11-17
公開日	2016-05-25
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.33 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

5ETD

Crystal structure of the human BRPF1 bromodomain in complex with SEED14
分子名称:	1-(1~{H}-indol-3-yl)ethanone, NITRATE ION, Peregrin
著者	Zhu, J, Caflisch, A.
登録日	2015-11-17
公開日	2016-05-25
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.4 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

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

5O5A

Crystal structure of the human BRPF1 bromodomain in complex with BZ032
分子名称:	1-ethyl-~{N}-methyl-2,3-bis(oxidanylidene)-~{N}-[(1-phenylpyrazol-4-yl)methyl]-4~{H}-quinoxaline-6-carboxamide, NITRATE ION, Peregrin
著者	Zhu, J, Caflisch, A.
登録日	2017-06-01
公開日	2018-06-13
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	Structure-based discovery of selective BRPF1 bromodomain inhibitors. Eur J Med Chem, 155, 2018

5O97

Crystal structure of human BRD4(1) bromodomain in complex with JRMBR4106
分子名称:	(5~{Z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者	Zhu, J, Marchand, J.R, Caflisch, A.
登録日	2017-06-15
公開日	2018-06-27
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.3 Å)
主引用文献	Crystal structure of human BRD4(1) bromodomain in complex with JRMBR4106 To Be Published

5O55

Crystal structure of the human BRPF1 bromodomain in complex with BZ047
分子名称:	NITRATE ION, Peregrin, ~{N}-[(1~{S})-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxamide
著者	Zhu, J, Caflisch, A.
登録日	2017-05-31
公開日	2018-06-13
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.45 Å)
主引用文献	Structure-based discovery of selective BRPF1 bromodomain inhibitors. Eur J Med Chem, 155, 2018

5HCL

Crystal Structure of the first bromodomain of BRD4 in complex with DMA
分子名称:	1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N},~{N}-dimethylethanamide
著者	Dong, J, Weber, F.E, Caflisch, A.
登録日	2016-01-04
公開日	2017-01-25
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.5 Å)
主引用文献	N,N Dimethylacetamide a drug excipient that acts as bromodomain ligand for osteoporosis treatment. Sci Rep, 7, 2017

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