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PDB: 457 件

5MQG
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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
5MQE
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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
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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
3ZDX
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Integrin alphaIIB beta3 headpiece and RGD peptide complex
分子名称: 10E5 FAB, HEAVY CHAIN, LIGHT CHAIN, ...
著者Zhu, J.H, Zhu, J.Q, Springer, T.A.
登録日2012-12-03
公開日2013-06-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Complete Integrin Headpiece Opening in Eight Steps.
J.Cell Biol., 201, 2013
6FRF
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BU of 6frf by Molmil
Crystal structure of CREBBP bromodomain complexd with PA10
分子名称: CREB-binding protein, ~{N}-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide
著者Zhu, J, Caflisch, A.
登録日2018-02-15
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 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
5OWA
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Crystal structure of the human BRPF1 bromodomain in complex with BZ054
分子名称: Peregrin, ~{N}-[4-[[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
著者Zhu, J, Caflisch, A.
登録日2017-08-31
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
3FCU
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Structure of headpiece of integrin aIIBb3 in open conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, CALCIUM ION, ...
著者Zhu, J, Luo, B.-H, Xiao, T, Zhang, C, Nishida, N, Springer, T.A.
登録日2008-11-22
公開日2009-01-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of a complete integrin ectodomain in a physiologic resting state and activation and deactivation by applied forces.
Mol.Cell, 32, 2008
3T3P
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A Novel High Affinity Integrin alphaIIbbeta3 Receptor Antagonist That Unexpectedly Displaces Mg2+ from the beta3 MIDAS
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Zhu, J, Zhu, J, Springer, T.A.
登録日2011-07-25
公開日2012-03-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Guided Design of a High-Affinity Platelet Integrin alphaIIbbeta3 Receptor Antagonist That Disrupts Mg2+ Binding to the MIDAS
Sci Transl Med, 4, 2012
3T3M
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A Novel High Affinity Integrin alphaIIbbeta3 Receptor Antagonist That Unexpectedly Displaces Mg2+ from the beta3 MIDAS
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Zhu, J, Zhu, J, Springer, T.A.
登録日2011-07-25
公開日2012-03-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Guided Design of a High-Affinity Platelet Integrin alphaIIbbeta3 Receptor Antagonist That Disrupts Mg2+ Binding to the MIDAS
Sci Transl Med, 4, 2012
5MWG
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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
5MWZ
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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
5MWH
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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
5O5A
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BU of 5o5a by Molmil
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
5O55
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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
5O97
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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
5O4S
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BU of 5o4s by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ135
分子名称: NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
著者Zhu, J, Caflisch, A.
登録日2017-05-30
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O4T
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BU of 5o4t by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ061
分子名称: 1,4-dimethylquinoxaline-2,3-dione, Peregrin
著者Zhu, J, Caflisch, A.
登録日2017-05-30
公開日2018-06-13
最終更新日2024-01-17
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
5O5F
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BU of 5o5f by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ038
分子名称: 1-ethyl-~{N}-[(~{R})-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-bis(oxidanylidene)-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 (1.302 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O5H
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Crystal structure of the human BRPF1 bromodomain in complex with BZ053
分子名称: NITRATE ION, Peregrin, ~{N}-[6-(4-chloranylphenoxy)pyridin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
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 (1.85 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5OV8
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BU of 5ov8 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ097
分子名称: NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-pyrrolidin-1-yl-quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide
著者Zhu, J, Caflisch, A.
登録日2017-08-28
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
3SPB
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BU of 3spb by Molmil
Unliganded E. Cloacae MurA
分子名称: UDP-N-acetylglucosamine 1-carboxyvinyltransferase
著者Zhu, J.-Y, Yang, Y, Schonbrunn, E.
登録日2011-07-01
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
5MPK
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Crystal structure of CREBBP bromodomain complexed with DK19
分子名称: CREB-binding protein, ~{N}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{H}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide
著者Zhu, J, Caflisch, A.
登録日2016-12-16
公開日2018-01-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 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
5MMG
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BU of 5mmg by Molmil
Crystal structure of CREBBP bromodomain complexed with UT07C
分子名称: 1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone, CREB-binding protein
著者Zhu, J, Caflisch, A.
登録日2016-12-09
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.23 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
5MPN
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Crystal structure of CREBBP bromodomain complexed with FA26
分子名称: 1,2-ETHANEDIOL, 1-[4-ethoxy-3-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone, CREB-binding protein
著者Zhu, J, Caflisch, A.
登録日2016-12-16
公開日2018-01-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.23 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
6FQO
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Crystal structure of CREBBP bromodomain complexd with DT29
分子名称: 1,2-ETHANEDIOL, CREB-binding protein, ~{N}-[3-(2,5-dimethyl-3-oxidanylidene-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide
著者Zhu, J, Caflisch, A.
登録日2018-02-14
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.35 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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