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PDB: 318 results

6FQU
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BU of 6fqu by Molmil
Crystal structure of CREBBP bromodomain complexd with DR09
Descriptor: 1-[3-[3-[3,3-bis(fluoranyl)piperidin-1-yl]phenyl]-4-ethoxy-phenyl]ethanone, CREB-binding protein
Authors:Zhu, J, Caflisch, A.
Deposit date:2018-02-14
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.43 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
6FR0
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BU of 6fr0 by Molmil
Crystal structure of CREBBP bromodomain complexd with PB08
Descriptor: CREB-binding protein, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(2-ethyl-5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide
Authors:Zhu, J, Caflisch, A.
Deposit date:2018-02-15
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 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
6FRF
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BU of 6frf by Molmil
Crystal structure of CREBBP bromodomain complexd with PA10
Descriptor: CREB-binding protein, ~{N}-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide
Authors:Zhu, J, Caflisch, A.
Deposit date:2018-02-15
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 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
5EWD
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BU of 5ewd by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED18
Descriptor: 4-phenylpyridine, NITRATE ION, Peregrin
Authors:Zhu, J, Caflisch, A.
Deposit date:2015-11-20
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.58 Å)
Cite: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
Descriptor: NADH-ubiquinone oxidoreductase chain 4, NADH-ubiquinone oxidoreductase chain 5, SDAP, ...
Authors:Zhu, J, Hirst, J, King, M.S, Yu, M, Leslie, A.G.W, Klipcan, L.
Deposit date:2015-07-20
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (6.74 Å)
Cite:Structure of subcomplex I beta of mammalian respiratory complex I leads to new supernumerary subunit assignments.
Proc.Natl.Acad.Sci.USA, 112, 2015
5YPO
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BU of 5ypo by Molmil
Crystal structure of PSD-95 GK domain in complex with phospho-SAPAP peptide
Descriptor: Disks large homolog 4, GLYCEROL, SAPAP
Authors:Zhu, J, Zhou, Q, Shang, Y, Weng, Z, Zhang, R, Zhang, M.
Deposit date:2017-11-02
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Synaptic Targeting and Function of SAPAPs Mediated by Phosphorylation-Dependent Binding to PSD-95 MAGUKs.
Cell Rep, 21, 2017
5D7X
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BU of 5d7x by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with XZ08
Descriptor: 4-(1-acetyl-1H-indol-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one, NITRATE ION, Peregrin
Authors:Zhu, J, Caflisch, A.
Deposit date:2015-08-14
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.
J.Med.Chem., 59, 2016
6EKQ
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BU of 6ekq by Molmil
Crystal structure of the human BRPF1 bromodomain complexed with BZ054 in space group C2
Descriptor: 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
Authors:Zhu, J, Caflisch, A.
Deposit date:2017-09-26
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
6FQT
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BU of 6fqt by Molmil
Crystal structure of CREBBP bromodomain complexd with DR46
Descriptor: CREB-binding protein, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
Authors:Zhu, J, Caflisch, A.
Deposit date:2018-02-14
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of CREBBP bromodomain complexd with DR46
To Be Published
5C89
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BU of 5c89 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with 917
Descriptor: 1-ethyl-8-methoxy-5-methyl[1,2,4]triazolo[4,3-a]quinoline, Peregrin
Authors:Zhu, J, Wiedmer, L, Caflisch, A.
Deposit date:2015-06-25
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the human BRPF1 bromodomain in complex with 917
To Be Published
5C85
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BU of 5c85 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED1
Descriptor: 6-bromo-3,4-dihydroquinoxalin-2(1H)-one, NITRATE ION, Peregrin
Authors:Zhu, J, Caflisch, A.
Deposit date:2015-06-25
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
5C87
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BU of 5c87 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED2
Descriptor: NITRATE ION, Peregrin, isoquinolin-1(2H)-one
Authors:Zhu, J, Caflisch, A.
Deposit date:2015-06-25
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
5C7N
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BU of 5c7n by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with Bromosporine
Descriptor: Bromosporine, NITRATE ION, Peregrin
Authors:Zhu, J, Caflisch, A.
Deposit date:2015-06-24
Release date:2015-07-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
5E3G
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BU of 5e3g by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED8
Descriptor: 2-thioxo-2,3,7,9-tetrahydro-1H-purine-6,8-dione, NITRATE ION, Peregrin
Authors:Zhu, J, Caflisch, A.
Deposit date:2015-10-02
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
5DYA
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BU of 5dya by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED5
Descriptor: (2R)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid, NITRATE ION, Peregrin
Authors:Zhu, J, Caflisch, A.
Deposit date:2015-09-24
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
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BU of 5e3d by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED7
Descriptor: 2,8-dithioxo-1,2,3,7,8,9-hexahydro-6H-purin-6-one, NITRATE ION, Peregrin
Authors:Zhu, J, Caflisch, A.
Deposit date:2015-10-02
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.71 Å)
Cite: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
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BU of 5dy7 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED4
Descriptor: 7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1H)-one, NITRATE ION, Peregrin
Authors:Zhu, J, Caflisch, A.
Deposit date:2015-09-24
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.69 Å)
Cite: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
7TPD
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BU of 7tpd by Molmil
Integrin alaphIIBbeta3 complex with EF5154
Descriptor: (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, ...
Authors:Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
Deposit date:2022-01-25
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7THO
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BU of 7tho by Molmil
Integrin alaphIIBbeta3 complex with Eptifibatide
Descriptor: 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, ...
Authors:Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
Deposit date:2022-01-11
Release date:2022-08-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7U9V
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BU of 7u9v by Molmil
Integrin alaphIIBbeta3 complex with BMS4-1
Descriptor: (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, ...
Authors:Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
Deposit date:2022-03-11
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25492167 Å)
Cite: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
Descriptor: (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, ...
Authors:Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
Deposit date:2022-01-20
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.20002 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7U60
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BU of 7u60 by Molmil
Integrin alaphIIBbeta3 complex with cRGDfV
Descriptor: 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, ...
Authors:Zhu, J, Lin, F.Y, Zhu, J, Springer, T.A.
Deposit date:2022-03-03
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
5EQ1
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BU of 5eq1 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED12
Descriptor: 5-METHYL-1,2,4-TRIAZOLO[3,4-B]BENZOTHIAZOLE, NITRATE ION, Peregrin
Authors:Zhu, J, Caflisch, A.
Deposit date:2015-11-12
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
5EV9
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BU of 5ev9 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED15
Descriptor: NITRATE ION, Peregrin, ~{N}-[5-(1~{H}-pyrazol-4-yl)quinolin-8-yl]ethanamide
Authors:Zhu, J, Caflisch, A.
Deposit date:2015-11-19
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
5EWW
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BU of 5eww by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED21
Descriptor: NITRATE ION, Peregrin, ~{N}-[(2~{R})-butan-2-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
Authors:Zhu, J, Wiedmer, L, Caflisch, A.
Deposit date:2015-11-21
Release date:2016-11-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal structure of the human BRPF1 bromodomain in complex with SEED21
To Be Published

222036

數據於2024-07-03公開中

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