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8CV4
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BU of 8cv4 by Molmil
Peptide 4.2C in complex with BRD4.2
Descriptor: ACETYL GROUP, AMINO GROUP, BRD4 protein, ...
Authors:Franck, C, Mackay, J.P.
Deposit date:2022-05-18
Release date:2023-05-24
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins.
Structure, 31, 2023
8E17
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BU of 8e17 by Molmil
BRD4-D1 in complex with BET inhibitor
Descriptor: (4P,6M)-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-4-[5-(methanesulfonyl)-2-methoxyphenyl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W.
Deposit date:2022-08-09
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography.
Chem.Commun.(Camb.), 59, 2023
8DYR
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BU of 8dyr by Molmil
BRD4-D1 in complex with BET inhibitor
Descriptor: (4P,6P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W.
Deposit date:2022-08-04
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography.
Chem.Commun.(Camb.), 59, 2023
7EIL
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BU of 7eil by Molmil
BRD4-BD1 in complex with LT-909-110
Descriptor: Bromodomain-containing protein 4, N-[4-[4-ethanoyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]ethanamide
Authors:Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y.
Deposit date:2021-03-31
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of 1-(5-(1H-benzo[d]imidazole-2-yl)-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one derivatives as novel and potent bromodomain and extra-terminal (BET) inhibitors with anticancer efficacy
Eur.J.Med.Chem., 227, 2022
4CFK
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BU of 4cfk by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH LY294002
Descriptor: 1,2-ETHANEDIOL, 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE, BRD4 PROTEIN, ...
Authors:Chung, C, Dittmann, A, Drewes, G.
Deposit date:2013-11-18
Release date:2014-01-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The Commonly Used Pi3-Kinase Probe Ly294002 is an Inhibitor of Bet Bromodomains.
Acs Chem.Biol., 9, 2014
4CFL
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BU of 4cfl by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH LY303511
Descriptor: 1,2-ETHANEDIOL, 8-phenyl-2-piperazin-1-yl-chromen-4-one, BRD4 PROTEIN, ...
Authors:Chung, C, Dittmann, A, Drewes, G.
Deposit date:2013-11-18
Release date:2014-01-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:The Commonly Used Pi3-Kinase Probe Ly294002 is an Inhibitor of Bet Bromodomains.
Acs Chem.Biol., 9, 2014
7USI
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BU of 7usi by Molmil
BRD2-BD1 in complex with MDP5
Descriptor: (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ...
Authors:Jayasinghe, T.D, Ronning, D.R.
Deposit date:2022-04-25
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
7USH
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BU of 7ush by Molmil
BRD2-BD2 in complex with SF2523
Descriptor: 1,2-ETHANEDIOL, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 2
Authors:Jayasinghe, T.D, Ronning, D.R.
Deposit date:2022-04-25
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
7USG
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BU of 7usg by Molmil
BRD2-BD2 in complex with MDP5
Descriptor: (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ...
Authors:Jayasinghe, T.D, Ronning, D.R.
Deposit date:2022-04-25
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
6G0O
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BU of 6g0o by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated ATRX peptide (K1030ac/K1033ac)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Transcriptional regulator ATRX
Authors:Filippakopoulos, P, Picaud, S, Newman, J, Sorrell, F, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C.
Deposit date:2018-03-19
Release date:2018-11-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
6U6K
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BU of 6u6k by Molmil
BRD4-BD1 in complex with the cyclic peptide 3.1_3
Descriptor: Bromodomain-containing protein 4, cyclic peptide 3.1_3
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-08-30
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U8G
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BU of 6u8g by Molmil
BRD4-BD2 in complex with the cyclic peptide 3.1_2_AcK7toA
Descriptor: Bromodomain-containing protein 4, cyclic peptide 3.1_2_AcK7toA
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P, Mouradian, K.S.
Deposit date:2019-09-05
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U72
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BU of 6u72 by Molmil
BRD4-BD1 in complex with the cyclic peptide 3.1_2_AcK5toA
Descriptor: 3.1_2_AcK5toA, AMINO GROUP, Bromodomain-containing protein 4
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P, Mouradian, K.S.
Deposit date:2019-08-31
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U6L
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BU of 6u6l by Molmil
BRD4-BD2 in complex with the cyclic peptide 3.1_2
Descriptor: AMINO GROUP, Bromodomain-containing protein 4, Cyclic peptide 3.1_2, ...
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-08-30
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U8M
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BU of 6u8m by Molmil
BRD4-BD1 in complex with the cyclic peptide 3.2_1
Descriptor: AMINO GROUP, Bromodomain-containing protein 4, cyclic peptide 3.2_1
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-09-05
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
7B9X
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BU of 7b9x by Molmil
NMR2 structure of TRIM24-BD in complex with a precursor of IACS-9571
Descriptor: N-{6-[3-(4-Aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide, Transcription intermediary factor 1-alpha
Authors:Orts, J, Torres, F, Milbradt, A.G, Walser, R.
Deposit date:2020-12-14
Release date:2022-01-12
Last modified:2022-04-27
Method:SOLUTION NMR
Cite:NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24.
J.Med.Chem., 65, 2022
6ULV
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BU of 6ulv by Molmil
BRD4-BD1 in complex with the cyclic peptide 4.2_1
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bromodomain-containing protein 4, Cyclic peptide 4.2_3, ...
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-10-08
Release date:2020-12-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U74
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BU of 6u74 by Molmil
BRD4-BD1 in complex with the cyclic peptide 3.1_2
Descriptor: Bromodomain-containing protein 4, cyclic peptide 3.1_2
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-08-31
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U8I
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BU of 6u8i by Molmil
BRD4-BD2 in complex with the cyclic peptide 3.2_2
Descriptor: AMINO GROUP, Bromodomain-containing protein 4, cyclic peptide 3.2_2
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-09-05
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
5I40
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BU of 5i40 by Molmil
BRD9 in complex with Cpd1 (6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)
Descriptor: 1,2-ETHANEDIOL, 6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Bromodomain-containing protein 9, ...
Authors:Murray, J.M.
Deposit date:2016-02-11
Release date:2016-10-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.0402 Å)
Cite:Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
5I29
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BU of 5i29 by Molmil
TAF1(2) bound to a pyrrolopyridone compound
Descriptor: CALCIUM ION, N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide, Transcription initiation factor TFIID subunit 1
Authors:Tang, Y, Poy, F, Bellon, S.F.
Deposit date:2016-02-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
5I7X
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BU of 5i7x by Molmil
BRD9 in complex with Cpd2 (N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide)
Descriptor: Bromodomain-containing protein 9, N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide
Authors:Murray, J.M.
Deposit date:2016-02-18
Release date:2016-10-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.1752 Å)
Cite:Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
5I7Y
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BU of 5i7y by Molmil
BRD9 in complex with Cpd4 ((E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide)
Descriptor: 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide, Bromodomain-containing protein 9
Authors:Murray, J.M.
Deposit date:2016-02-18
Release date:2016-10-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4514 Å)
Cite:Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
5I1Q
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BU of 5i1q by Molmil
Second bromodomain of TAF1 bound to a pyrrolopyridone compound
Descriptor: 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide, Transcription initiation factor TFIID subunit 1
Authors:Tang, Y, Poy, F, Bellon, S.F.
Deposit date:2016-01-09
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
6WW8
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BU of 6ww8 by Molmil
BRD4 Bromodomain 1 in complex with triple CDK4/6-PI3K-BET inhibitor
Descriptor: 7-cyclopentyl-N,N-dimethyl-2-({4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Bromodomain-containing protein 4
Authors:Vann, K.R, Kutateladze, T.G.
Deposit date:2020-05-08
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:A triple action CDK4/6-PI3K-BET inhibitor with augmented cancer cell cytotoxicity.
Cell Discov, 6, 2020

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