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PDB: 318 件

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
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
5MMG
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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
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
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
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
3RO3
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crystal structure of LGN/mInscuteable complex
分子名称: CHLORIDE ION, ETHANOL, G-protein-signaling modulator 2, ...
著者Zhu, J, Wen, W, Shang, Y, Wei, Z, Pan, Z, Wang, W, Zhang, M.
登録日2011-04-25
公開日2012-03-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献LGN/mInsc and LGN/NuMA complex structures suggest distinct functions in asymmetric cell division for the Par3/mInsc/LGN and G[alpha]i/LGN/NuMA pathways
Mol.Cell, 43, 2011
7TCT
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Integrin alaphIIBbeta3 complex with UR2922
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, Lin, F.-Y, Zhu, J, Springer, T.A.
登録日2021-12-28
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7TD8
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Integrin alaphIIBbeta3 complex with Tirofiban
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, Lin, F.-Y, Zhu, J, Springer, T.A.
登録日2021-12-30
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7TPD
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BU of 7tpd by Molmil
Integrin alaphIIBbeta3 complex with EF5154
分子名称: (4-{[2-oxo-4-(piperidin-4-yl)piperazin-1-yl]acetyl}phenoxy)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
登録日2022-01-25
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7U9V
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Integrin alaphIIBbeta3 complex with BMS4-1
分子名称: (4-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 10E5 Fab heavy chain, 10E5 light chain, ...
著者Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
登録日2022-03-11
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25492167 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7THO
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Integrin alaphIIBbeta3 complex with Eptifibatide
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, Lin, F.-Y, Zhu, J, Springer, T.A.
登録日2022-01-11
公開日2022-08-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7TMZ
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BU of 7tmz by Molmil
Integrin alaphIIBbeta3 complex with BMS compound 4
分子名称: (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
登録日2022-01-20
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.20002 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7U60
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Integrin alaphIIBbeta3 complex with cRGDfV
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, ARG-GLY-ASP-DPN-VAL, ...
著者Zhu, J, Lin, F.Y, Zhu, J, Springer, T.A.
登録日2022-03-03
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7RK6
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BU of 7rk6 by Molmil
Aplysia Slo1 with Barium
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, BARIUM ION, BK channel, ...
著者Zhu, J, Srivastava, S, Cachau, R, Holmgren, M.
登録日2021-07-22
公開日2022-06-22
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献CryoEM structure of Aplysia Slo1 with 0 mM Ba2+ at 2.91 A
To Be Published
7RJT
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Aplysia Slo1 with Barium
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, BARIUM ION, BK channel, ...
著者Zhu, J, Srivastava, S, Cachau, R, Holmgren, M.
登録日2021-07-21
公開日2022-06-22
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献CryoEM structure of Aplysia Slo1 with 10 mM Ba2+ at 2.93 A
To Be Published
6EKQ
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Crystal structure of the human BRPF1 bromodomain complexed with BZ054 in space group C2
分子名称: NITRATE ION, 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2017-09-26
公開日2018-06-27
最終更新日2024-01-17
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
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
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
5EWD
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BU of 5ewd by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED18
分子名称: 4-phenylpyridine, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-11-20
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.58 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
5COD
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BU of 5cod by Molmil
Bovine heart complex I membrane domain
分子名称: NADH-ubiquinone oxidoreductase chain 4, NADH-ubiquinone oxidoreductase chain 5, SDAP, ...
著者Zhu, J, Hirst, J, King, M.S, Yu, M, Leslie, A.G.W, Klipcan, L.
登録日2015-07-20
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (6.74 Å)
主引用文献Structure of subcomplex I beta of mammalian respiratory complex I leads to new supernumerary subunit assignments.
Proc.Natl.Acad.Sci.USA, 112, 2015
4YLM
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BU of 4ylm by Molmil
Structure of PvcB, an Fe, alpha-ketoglutarate dependent oxygenase from an isonitrile synthetic pathway
分子名称: GLYCEROL, Pyoverdine biosynthesis protein PvcB
著者Zhu, J, Lippa, G.M, Gulick, A.M, Tipton, P.A.
登録日2015-03-05
公開日2015-04-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Examining Reaction Specificity in PvcB, a Source of Diversity in Isonitrile-Containing Natural Products.
Biochemistry, 54, 2015
5C89
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Crystal structure of the human BRPF1 bromodomain in complex with 917
分子名称: 1-ethyl-8-methoxy-5-methyl[1,2,4]triazolo[4,3-a]quinoline, Peregrin
著者Zhu, J, Wiedmer, L, Caflisch, A.
登録日2015-06-25
公開日2016-07-13
最終更新日2024-01-10
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 917
To Be Published

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件を2024-07-24に公開中

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