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7RXT
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BU of 7rxt by Molmil
Crystal of BRD4(D1) with 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine
Descriptor: 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine, Bromodomain-containing protein 4
Authors:Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2021-08-23
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
7RXR
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BU of 7rxr by Molmil
Crystal Structure of BRD4(D1) with 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine
Descriptor: 1,2-ETHANEDIOL, 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine, Bromodomain-containing protein 4
Authors:Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2021-08-23
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
6E4A
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BU of 6e4a by Molmil
Crystal structure of human BRD4(1) in complex with CN750
Descriptor: 5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1H)-one, Bromodomain-containing protein 4, GLYCEROL
Authors:Fontano, E, White, A, Lakshminarasimhan, D, Suto, R.K.
Deposit date:2018-07-17
Release date:2018-09-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Discovery and lead identification of quinazoline-based BRD4 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
4O72
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BU of 4o72 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with NU7441
Descriptor: 1,2-ETHANEDIOL, 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one, Bromodomain-containing protein 4, ...
Authors:Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E.
Deposit date:2013-12-24
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O70
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BU of 4o70 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with DINACICLIB
Descriptor: 1,2-ETHANEDIOL, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Bromodomain-containing protein 4
Authors:Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E.
Deposit date:2013-12-24
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O7F
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BU of 4o7f by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with SB-251527
Descriptor: 1,2-ETHANEDIOL, 4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-2-(2-methoxyphenoxy)pyrimidine, Bromodomain-containing protein 4, ...
Authors:Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E.
Deposit date:2013-12-24
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O7A
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BU of 4o7a by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with SB-409514
Descriptor: 1,2-ETHANEDIOL, 3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1H-pyrrole-2,5-dione, Bromodomain-containing protein 4
Authors:Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E.
Deposit date:2013-12-24
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O78
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BU of 4o78 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with GW612286X
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ...
Authors:Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E.
Deposit date:2013-12-24
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O76
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BU of 4o76 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with TG101209
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide
Authors:Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E.
Deposit date:2013-12-24
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O77
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BU of 4o77 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with SB 202190
Descriptor: 4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol, Bromodomain-containing protein 4
Authors:Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E.
Deposit date:2013-12-24
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O71
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BU of 4o71 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with FLAVOPIRIDOL
Descriptor: 1,2-ETHANEDIOL, 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, Bromodomain-containing protein 4
Authors:Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E.
Deposit date:2013-12-24
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4PS5
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BU of 4ps5 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with TG101348
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Bromodomain-containing protein 4, ...
Authors:Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E.
Deposit date:2014-03-06
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O7B
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BU of 4o7b by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with SB-284847-BT
Descriptor: 1,2-ETHANEDIOL, 2-(2,3-dimethylphenoxy)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidine, Bromodomain-containing protein 4
Authors:Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E.
Deposit date:2013-12-24
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O7C
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BU of 4o7c by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with SB-614067-R
Descriptor: 1,2-ETHANEDIOL, 4-[(5Z)-5-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4H-imidazol-4-ylidene]-1,4-dihydropyridine, Bromodomain-containing protein 4
Authors:Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E.
Deposit date:2013-12-24
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O74
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BU of 4o74 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with BI 2536
Descriptor: 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4, ...
Authors:Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E.
Deposit date:2013-12-24
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O7E
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BU of 4o7e by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with SB-610251-B
Descriptor: 1,2-ETHANEDIOL, 3-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]phenol, Bromodomain-containing protein 4
Authors:Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E.
Deposit date:2013-12-24
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O75
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BU of 4o75 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with FOSTAMATINIB
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, [6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate
Authors:Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E.
Deposit date:2013-12-24
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4PCI
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BU of 4pci by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with B16
Descriptor: (4S)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Dong, J, Caflisch, A.
Deposit date:2014-04-15
Release date:2014-05-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.
Bioorg.Med.Chem.Lett., 24, 2014
4PCE
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BU of 4pce by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with compound B13
Descriptor: 1,2-ETHANEDIOL, 1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one, Bromodomain-containing protein 4
Authors:Dong, J, Caflisch, A.
Deposit date:2014-04-15
Release date:2014-05-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.293 Å)
Cite:Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.
Bioorg.Med.Chem.Lett., 24, 2014
6UWU
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BU of 6uwu by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0516
Descriptor: 1,2-ETHANEDIOL, 2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one, Bromodomain-containing protein 4
Authors:Leonard, P.G, Joseph, S.
Deposit date:2019-11-05
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation.
J.Med.Chem., 63, 2020
5WUU
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BU of 5wuu by Molmil
Complex structure of the first bromodomain of BRD4 with an inhibitor that containing a 2H-chromen-2-one ring
Descriptor: Bromodomain-containing protein 4, ~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide
Authors:Zhang, H, Sun, Z.Y.
Deposit date:2016-12-21
Release date:2017-04-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.724 Å)
Cite:Discovery of novel BRD4 inhibitors by high-throughput screening, crystallography, and cell-based assays.
Bioorg. Med. Chem. Lett., 27, 2017
6AJV
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BU of 6ajv by Molmil
Crystal structure of BRD4 in complex with isoliquiritigenin and DMSO (Cocktail No. 3)
Descriptor: 2',4,4'-TRIHYDROXYCHALCONE, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
Authors:Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M.
Deposit date:2018-08-28
Release date:2019-06-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
6AJY
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BU of 6ajy by Molmil
Crystal structure of BRD4 in complex with 2',4'-dihydroxy-2-methoxychalcone
Descriptor: 2',4'-dihydroxy-2-methoxychalcone, Bromodomain-containing protein 4, SODIUM ION
Authors:Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M.
Deposit date:2018-08-28
Release date:2019-06-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
6AJX
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BU of 6ajx by Molmil
Crystal structure of BRD4 in complex with isoliquiritigenin in the absence of DMSO
Descriptor: 2',4,4'-TRIHYDROXYCHALCONE, Bromodomain-containing protein 4, SODIUM ION
Authors:Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M.
Deposit date:2018-08-28
Release date:2019-06-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.887 Å)
Cite:Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
6AJZ
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BU of 6ajz by Molmil
Joint nentron and X-ray structure of BRD4 in complex with colchicin
Descriptor: Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide, SODIUM ION
Authors:Yokoyama, T, Ostermann, A, Schrader, T.E, Nabeshima, Y, Mizuguchi, M.
Deposit date:2018-08-28
Release date:2019-06-12
Last modified:2024-03-27
Method:NEUTRON DIFFRACTION (1.301 Å), X-RAY DIFFRACTION
Cite:Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019

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