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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
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
5UY9
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BU of 5uy9 by Molmil
Prolyl isomerase Pin1 R14A mutant bound with Brd4 peptide
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Brd4 peptide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Dong, S.-H, Nair, S.
Deposit date:2017-02-23
Release date:2017-04-26
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Prolyl isomerase PIN1 regulates the stability, transcriptional activity and oncogenic potential of BRD4.
Oncogene, 36, 2017
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
5D24
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BU of 5d24 by Molmil
First bromodomain of BRD4 bound to inhibitor XD26
Descriptor: 1,2-ETHANEDIOL, 4-acetyl-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
Authors:Wohlwend, D, Huegle, M, Gerhardt, S.
Deposit date:2015-08-05
Release date:2016-01-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5D3H
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BU of 5d3h by Molmil
First bromodomain of BRD4 bound to inhibitor XD29
Descriptor: Bromodomain-containing protein 4, N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-4-(hydroxyacetyl)-5-methyl-1H-pyrrole-2-carboxamide
Authors:Wohlwend, D, Huegle, M, Weitzel, G.
Deposit date:2015-08-06
Release date:2016-01-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5D3J
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BU of 5d3j by Molmil
First bromodomain of BRD4 bound to inhibitor XD33
Descriptor: 4-acetyl-N-[3-(diethylsulfamoyl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
Authors:Wohlwend, D, Huegle, M.
Deposit date:2015-08-06
Release date:2016-01-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5D3R
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BU of 5d3r by Molmil
First bromodomain of BRD4 bound to inhibitor XD42
Descriptor: 4-acetyl-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
Authors:Wohlwend, D, Huegle, M.
Deposit date:2015-08-06
Release date:2016-01-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5D3N
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BU of 5d3n by Molmil
First bromodomain of BRD4 bound to inhibitor XD40
Descriptor: 4-acetyl-3-ethyl-5-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
Authors:Wohlwend, D, Huegle, M.
Deposit date:2015-08-06
Release date:2016-01-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5D3T
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BU of 5d3t by Molmil
First bromodomain of BRD4 bound to inhibitor XD47
Descriptor: 1,2-ETHANEDIOL, 4-acetyl-N-(3-carbamoylbenzyl)-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4, ...
Authors:Wohlwend, D, Huegle, M.
Deposit date:2015-08-06
Release date:2016-01-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5D3S
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BU of 5d3s by Molmil
First bromodomain of BRD4 bound to inhibitor XD44
Descriptor: (R,R)-2,3-BUTANEDIOL, 4-acetyl-3-ethyl-N-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4, ...
Authors:Wohlwend, D, Huegle, M.
Deposit date:2015-08-06
Release date:2016-01-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5D26
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BU of 5d26 by Molmil
First bromodomain of BRD4 bound to inhibitor XD28
Descriptor: (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
Authors:Wohlwend, D, Huegle, M.
Deposit date:2015-08-05
Release date:2016-01-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5D25
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BU of 5d25 by Molmil
First bromodomain of BRD4 bound to inhibitor XD27
Descriptor: (R,R)-2,3-BUTANEDIOL, 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4, ...
Authors:Wohlwend, D, Huegle, M, Gerhardt, S.
Deposit date:2015-08-05
Release date:2016-01-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5D3L
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BU of 5d3l by Molmil
First bromodomain of BRD4 bound to inhibitor XD35
Descriptor: 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxy-4-methylphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
Authors:Wohlwend, D, Huegle, M.
Deposit date:2015-08-06
Release date:2016-01-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5D3P
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BU of 5d3p by Molmil
First bromodomain of BRD4 bound to inhibitor XD41
Descriptor: 1-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)carbonyl]-N-methyl-1H-indole-6-sulfonamide, Bromodomain-containing protein 4, NICKEL (II) ION
Authors:Wohlwend, D, Huegle, M.
Deposit date:2015-08-06
Release date:2016-01-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5TI2
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BU of 5ti2 by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 7635936
Descriptor: 1,2-ETHANEDIOL, 3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide, Bromodomain-containing protein 4
Authors:Zhu, J.-Y, Ember, S.W.J, SCHONBRUNN, E.
Deposit date:2016-09-30
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations.
ACS Omega, 2, 2017
5TI7
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BU of 5ti7 by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 17528462
Descriptor: 1,2-ETHANEDIOL, 5-bromo-2-methoxy-N-(3-(2-oxopyrrolidin-1-yl)phenyl)benzenesulfonamide, Bromodomain-containing protein 4
Authors:Zhu, J.-Y, Ember, S.W.J, Schonbrunn, E.
Deposit date:2016-10-01
Release date:2017-08-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations.
ACS Omega, 2, 2017
5TI3
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BU of 5ti3 by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 17503468
Descriptor: 1,2-ETHANEDIOL, 2,5-dibromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide, Bromodomain-containing protein 4
Authors:Zhu, J.-Y, Ember, S.W.J, SCHONBRUNN, E.
Deposit date:2016-09-30
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations.
ACS Omega, 2, 2017
5TI6
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BU of 5ti6 by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 8841881
Descriptor: 1,2-ETHANEDIOL, 2,6-difluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide, Bromodomain-containing protein 4
Authors:Zhu, J.-Y, Ember, S.W.J, Schonbrunn, E.
Deposit date:2016-10-01
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.704 Å)
Cite:Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations.
ACS Omega, 2, 2017
5TI5
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BU of 5ti5 by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 8841880
Descriptor: 1,2-ETHANEDIOL, 3-bromo-N-[3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)phenyl]benzene-1-sulfonamide, Bromodomain-containing protein 4
Authors:Zhu, J.-Y, Ember, S.W.J, Schonbrunn, E.
Deposit date:2016-10-01
Release date:2017-08-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations.
ACS Omega, 2, 2017
5TI4
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BU of 5ti4 by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 8841871
Descriptor: 1,2-ETHANEDIOL, 3-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide, Bromodomain-containing protein 4
Authors:Zhu, J.-Y, Ember, S.W.J, SCHONBRUNN, E.
Deposit date:2016-09-30
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations.
ACS Omega, 2, 2017
5UEP
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BU of 5uep by Molmil
BRD4_BD2_A-581577
Descriptor: Bromodomain-containing protein 4, ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate
Authors:Park, C.H.
Deposit date:2017-01-03
Release date:2017-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Complex structure of BRD4_BD2_A-581577
To Be Published
5UEQ
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BU of 5ueq by Molmil
BRD4_BD2_A-1390146
Descriptor: Bromodomain-containing protein 4, N-[3-(7-methyl-1-oxo-2,6-dihydro-1H-pyrrolo[3,4-d]pyridazin-5-yl)-4-phenoxyphenyl]ethanesulfonamide
Authors:Park, C.H.
Deposit date:2017-01-03
Release date:2017-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Complex structure of BRD4_BD2_A-1390146
To Be Published
5UES
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BU of 5ues by Molmil
BRD4_BD2_A-1344772
Descriptor: 5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide, Bromodomain-containing protein 4
Authors:Park, C.H.
Deposit date:2017-01-03
Release date:2017-06-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Complex structure of BRD4_BD2_A-1344772
To Be Published
5UEV
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BU of 5uev by Molmil
BRD4_BD2_A-556343
Descriptor: 1-[5-(2-aminophenyl)-2-methyl-1H-pyrrol-3-yl]ethan-1-one, Bromodomain-containing protein 4
Authors:Park, C.H.
Deposit date:2017-01-03
Release date:2017-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Complex structure of BRD4_BD2_A-556343
To Be Published

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