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8EAD
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BU of 8ead by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-177
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-{2-chloro-5-[(5-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]anilino}pyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2022-08-29
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-177
To Be Published
3MUL
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BU of 3mul by Molmil
Crystal structure of Brd4 bromodomain 1 with butyrylated histone H3-K(buty)14
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Peptide of Histone H3.3
Authors:Vollmuth, F, Geyer, M.
Deposit date:2010-05-03
Release date:2010-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Interaction of propionylated and butyrylated histone H3 lysine marks with Brd4 bromodomains
Angew.Chem.Int.Ed.Engl., 49, 2010
6ZED
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BU of 6zed by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound F1
Descriptor: 1,2-ETHANEDIOL, 4,5-dimethyl-1~{H}-pyrazolo[3,4-c]pyridazin-3-amine, Bromodomain-containing protein 4
Authors:Krojer, T, Martinez-Cartro, M, Picaud, S, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Barril, X, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2020-06-16
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound F1
To Be Published
6ZF9
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BU of 6zf9 by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound SSR4
Descriptor: 1,2-ETHANEDIOL, 3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole, Bromodomain-containing protein 4
Authors:Krojer, T, Martinez-Cartro, M, Picaud, S, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Barril, X, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2020-06-16
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound SSR4
To Be Published
3MUK
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BU of 3muk by Molmil
Crystal structure of Brd4 bromodomain 1 with propionylated histone H3-K(prop)23
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, peptide of Histone H3.3
Authors:Vollmuth, F, Geyer, M.
Deposit date:2010-05-03
Release date:2010-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Interaction of propionylated and butyrylated histone H3 lysine marks with Brd4 bromodomains
Angew.Chem.Int.Ed.Engl., 49, 2010
7AJN
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BU of 7ajn by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with a BzD ligand
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1-adamantylmethyl)-2-[(7~{R},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide
Authors:Picaud, S, Hassel-Hart, S, Tobias, K, Spencer, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P.
Deposit date:2020-09-29
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal Structure of the first bromodomain of BRD4 in complex with a BzD ligand
To Be Published
6YIN
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BU of 6yin by Molmil
Crystal structure of the first bromodomain of BRD4 in complex with a benzo-diazepine ligand
Descriptor: (4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide, Bromodomain-containing protein 4
Authors:Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P.
Deposit date:2020-04-01
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystal structure of the first bromodomain of BRD4 in complex with a benzo-diazepine ligand
To Be Published
8B98
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BU of 8b98 by Molmil
Crystal structure of the human BRD4-BD1 bromodomain in complex with the inhibitor CRCM5483
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
Authors:Carrasco, K, Betzi, S, Morelli, X.
Deposit date:2022-10-05
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.495 Å)
Cite:Crystal structure of the human BRD4-BD1 bromodomain in complex with the inhibitor CRCM5464
To Be Published
3SVF
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BU of 3svf by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a dihydro-quinazolin ligand
Descriptor: (4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyethoxy)-3-methyl-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-07-12
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.975 Å)
Cite:Crystal Structure of the first bromodomain of human BRD4 in complex with a dihydro-quinazolin ligand
TO BE PUBLISHED
3SVG
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BU of 3svg by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
Descriptor: (1R)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethanol, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Hewings, S.D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Conway, S.J, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-07-12
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
TO BE PUBLISHED
5HQ6
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BU of 5hq6 by Molmil
Crystal structure of fragment bound with Brd4
Descriptor: (2R)-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one, Bromodomain-containing protein 4
Authors:Chen, T.T, Xu, Y.C.
Deposit date:2016-01-21
Release date:2017-01-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of fragment bound with Brd4
to be published
5HQ7
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BU of 5hq7 by Molmil
Crystal structure of fragment bound with Brd4
Descriptor: Bromodomain-containing protein 4, N-ethyl-6,7-dimethoxyquinazolin-4-amine
Authors:Chen, T.T, Xu, Y.C.
Deposit date:2016-01-21
Release date:2017-01-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of fragment bound with Brd4
to be published
5HQ5
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BU of 5hq5 by Molmil
Crystal structure of fragment bound with Brd4
Descriptor: 7-methyl-N-(o-tolyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine, Bromodomain-containing protein 4
Authors:Chen, T.T, Xu, Y.C.
Deposit date:2016-01-21
Release date:2017-01-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of fragment bound with Brd4
to be published
6SE4
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BU of 6se4 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with (+)-JD1, an Organometallic BET Bromodomain Inhibitor
Descriptor: (+)-JD1, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
Authors:Krojer, T, Hassell-Hart, S, Picaud, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Spencer, J, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2019-07-29
Release date:2019-08-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Crystal Structure of the first bromodomain of human BRD4 in complex with (+)-JD1, an Organometallic BET Bromodomain Inhibitor
To Be Published
8B96
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BU of 8b96 by Molmil
Crystal structure of the human BRD4-BD1 bromodomain in complex with the inhibitor CRCM5464
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
Authors:Carrasco, K, Betzi, S, Morelli, X.
Deposit date:2022-10-05
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.338 Å)
Cite:Crystal structure of the human BRD4-BD1 bromodomain in complex with the inhibitor CRCM5464
To Be Published
5FBX
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BU of 5fbx by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with PNZ5 isoxazole inhibitor
Descriptor: (3~{S})-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-phenyl-3~{H}-isoindol-1-one, Bromodomain-containing protein 4
Authors:Tallant, C, Clark, P.G.K, Siejka, P, Fedorov, O, Nowak, R, Srikannathasan, V, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Brennan, P.E, Dixon, D, Knapp, S.
Deposit date:2015-12-14
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of the first bromodomain of human BRD4 in complex with PNZ5 isoxazole inhibitor
To Be Published
6S25
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BU of 6s25 by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with a benzodiazepine ligand
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{tert}-butyl ~{N}-[3-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]propyl]carbamate
Authors:Picaud, S, Traquete, R, Bernardes, G.J.L, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC)
Deposit date:2019-06-20
Release date:2019-07-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal Structure of the first bromodomain of BRD4 in complex with a benzodiazepine ligand
To Be Published
6DUV
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BU of 6duv by Molmil
Crystal structure of the second bromodomain of human BRD4 in complex with MS417 inhibitor
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate
Authors:Babault, N, Zhou, M.M.
Deposit date:2018-06-22
Release date:2019-06-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Role of Bound Water Molecules in Differential Recognition of Di-Acetylated Histone Peptides by the BRD4 Bromodomains
To be published
7JKX
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BU of 7jkx by Molmil
Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with YF3-6
Descriptor: Bromodomain-containing protein 4, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-[1-methyl-5-(methylamino)-6-oxo-1,6-dihydropyridin-3-yl]-1H-indol-4-yl}ethanesulfonamide
Authors:Ratia, K.M, Xiong, R, Li, Y, Shen, Z, Zhao, J, Huang, F, Dubrovyskyii, O, Thatcher, G.R.
Deposit date:2020-07-29
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with YF3-6
To Be Published
8RWZ
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BU of 8rwz by Molmil
Open non-crosslinked structure Brd4BD2-MZ1-(NEDD8)-CRL2VHL
Descriptor: (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Cullin-2, ...
Authors:Ciulli, A, Crowe, C, Nakacone, M.A.
Deposit date:2024-02-05
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Open non-crosslinked structure Brd4BD2-MZ1-(NEDD8)-CRL2VHL
To Be Published
8RX0
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BU of 8rx0 by Molmil
(NEDD8)-CRL2VHL-MZ1-Brd4BD2-Ub(G76S, K48C)-UBE2R1(C93K, S138C, C191S, C223S)-Ub
Descriptor: (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Cullin-2, Elongin-B, ...
Authors:Crowe, C, Nakasone, M.A.
Deposit date:2024-02-05
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:(NEDD8)-CRL2VHL-MZ1-Brd4BD2-Ub(G76S, K48C)-UBE2R1(C93K, S138C, C191S, C223S)-Ub
To Be Published
8PIQ
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BU of 8piq by Molmil
Crystal Structure of BRD4-BD1 with BI894999
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
Authors:Kessler, D.
Deposit date:2023-06-22
Release date:2023-07-26
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.117 Å)
Cite:Crystal Structure of BRD4-BD1 with BI894999
To Be Published
5O97
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BU of 5o97 by Molmil
Crystal structure of human BRD4(1) bromodomain in complex with JRMBR4106
Descriptor: (5~{Z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Zhu, J, Marchand, J.R, Caflisch, A.
Deposit date:2017-06-15
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of human BRD4(1) bromodomain in complex with JRMBR4106
To Be Published
7REM
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BU of 7rem by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor PN1-050
Descriptor: Bromodomain-containing protein 4, N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-07-13
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor PN1-050
To Be Published
7REL
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BU of 7rel by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-060
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-07-13
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-060
To Be Published

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