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9GH3
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BU of 9gh3 by Molmil
pleckstrin homology domain interacting protein with crystallization epitope mutations L1408N:R1409E
Descriptor: 1,2-ETHANEDIOL, PH-interacting protein
Authors:Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2024-08-14
Release date:2024-08-21
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To Be Published
4CUP
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BU of 4cup by Molmil
Crystal structure of human BAZ2B in complex with fragment-1 N09421
Descriptor: 4-Fluorobenzamidoxime, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B, METHANOL
Authors:Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F.
Deposit date:2014-03-21
Release date:2014-04-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal Structure of Human Baz2B in Complex with Fragment-1 N09421
To be Published
4LDF
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BU of 4ldf by Molmil
Crystal Structure of CpBRD2 from cryptosporidium, cgd3_3190
Descriptor: GCN5 like acetylase + bromodomain, GLYCEROL, UNKNOWN ATOM OR ION
Authors:Wernimont, A.K, Loppnau, P, Fonseca, M, Knapp, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Mottaghi, K, Structural Genomics Consortium (SGC)
Deposit date:2013-06-24
Release date:2013-07-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of CpBRD2 from cryptosporidium, cgd3_3190
TO BE PUBLISHED
1N72
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BU of 1n72 by Molmil
Structure and Ligand of a Histone Acetyltransferase Bromodomain
Descriptor: HISTONE ACETYLTRANSFERASE
Authors:Dhalluin, C, Carlson, J.E, Zeng, L, He, C, Aggarwal, A.K, Zhou, M.-M.
Deposit date:2002-11-12
Release date:2002-12-11
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure and Ligand of a Histone Acetyltransferase Bromodomain
Nature, 399, 1999
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
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
5WQZ
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BU of 5wqz by Molmil
Solution structure of a histone binding domain
Descriptor: Putative uncharacterized protein
Authors:Mi, J.
Deposit date:2016-11-29
Release date:2017-01-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure Of A Histone Binding Domain
To Be Published
2KTB
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BU of 2ktb by Molmil
Solution Structure of the Second Bromodomain of Human Polybromo in complex with an acetylated peptide from Histone 3
Descriptor: H3_Peptide, Protein polybromo-1
Authors:Charlop-Powers, Z, Zhang, Q, Zeng, L.
Deposit date:2010-01-26
Release date:2010-05-12
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Structural insights into selective histone H3 recognition by the human Polybromo bromodomain 2.
Cell Res., 20, 2010
5XI4
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BU of 5xi4 by Molmil
BRD4 bound with compound Bdi4
Descriptor: (3~{S})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4
Authors:Xiong, B, Cao, D, Li, Y.
Deposit date:2017-04-25
Release date:2018-05-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.486 Å)
Cite:BRD4 bound with compound Bdi4
To Be Published
2L84
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BU of 2l84 by Molmil
Solution NMR structures of CBP bromodomain with small molecule j28
Descriptor: 5-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid, CREB-binding protein
Authors:Borah, J.C, Mujtaba, S, Karakikes, I, Zeng, L, Muller, M, Patel, J, Moshkina, N, Morohashi, K, Zhang, W, Gerona-Navarro, G, Hajjar, R.J, Zhou, M.
Deposit date:2011-01-03
Release date:2011-01-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A Small Molecule Binding to the Coactivator CREB-Binding Protein Blocks Apoptosis in Cardiomyocytes.
Chem.Biol., 18, 2011
1JSP
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BU of 1jsp by Molmil
NMR Structure of CBP Bromodomain in complex with p53 peptide
Descriptor: CREB-BINDING PROTEIN, tumor protein p53
Authors:He, Y, Mujtaba, S, Zeng, L, Yan, S, Zhou, M.-M.
Deposit date:2001-08-17
Release date:2002-08-17
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Structural mechanism of the bromodomain of the coactivator CBP in p53 transcriptional activation.
Mol.Cell, 13, 2004
1JM4
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BU of 1jm4 by Molmil
NMR Structure of P/CAF Bromodomain in Complex with HIV-1 Tat Peptide
Descriptor: HIV-1 Tat Peptide, P300/CBP-associated Factor
Authors:Mujtaba, S, He, Y, Zeng, L, Farooq, A, Carlson, J.E, Ott, M, Verdin, E, Zhou, M.-M.
Deposit date:2001-07-17
Release date:2002-07-17
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Structural basis of lysine-acetylated HIV-1 Tat recognition by PCAF bromodomain
Mol.Cell, 9, 2002
4UIX
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BU of 4uix by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 7-(3,4-dimethoxyphenyl)-N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4-oxo-4H,5H-thieno-3,2-c-pyridine-2- carboxamide
Descriptor: 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4, CALCIUM ION, ...
Authors:Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G.
Deposit date:2015-04-03
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
4UIT
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BU of 4uit by Molmil
BROMODOMAIN OF HUMAN BRD9 WITH 7-(3,4-dimethoxyphenyl)-2-(4- methanesulfonylpiperazine-1-carbonyl)-5-methyl-4H,5H-thieno-3,2-c- pyridin-4-one
Descriptor: 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one, BROMODOMAIN-CONTAINING PROTEIN 9
Authors:Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G.
Deposit date:2015-04-03
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
4UIZ
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BU of 4uiz by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 7-(3,4-dimethoxyphenyl)-2-(4-methanesulfonylpiperazine-1-carbonyl)-5-methyl-4H,5H-thieno-3,2-c- pyridin-4-one
Descriptor: 1,2-ETHANEDIOL, 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G.
Deposit date:2015-04-03
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
7AV9
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BU of 7av9 by Molmil
Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2
Descriptor: 1,2-ETHANEDIOL, PH-interacting protein
Authors:Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
Deposit date:2020-11-04
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2
To Be Published
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
7AV8
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BU of 7av8 by Molmil
Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212
Descriptor: PH-interacting protein
Authors:Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2020-11-04
Release date:2021-01-13
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212
To Be Published
4UYD
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BU of 4uyd by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-dimethyl-2-oxo-2,3- dihydro-1H-1,3-benzodiazole-5-carboxamide
Descriptor: 1,2-ETHANEDIOL, 1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide, BROMODOMAIN-CONTAINING PROTEIN 4, ...
Authors:Chung, C, Bamborough, P, Demont, E.
Deposit date:2014-08-30
Release date:2014-09-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:1,3-Dimethyl Benzimidazolones are Potent, Selective Inhibitors of the Brpf1 Bromodomain.
Acs Med.Chem.Lett., 5, 2014
4UYH
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BU of 4uyh by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-((2R,4S)-2-methyl-4-(phenylamino)-6-(4-(piperidin-1-ylmethyl)phenyl)-3,4-dihydroquinolin-1(2H)-yl)ethanone
Descriptor: 1-[(2S,4R)-2-methyl-4-(phenylamino)-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydroquinolin-1(2H)-yl]ethanone, BROMODOMAIN-CONTAINING PROTEIN 2, DIMETHYL SULFOXIDE, ...
Authors:Chung, C, Bamborough, P, Gosmini, R.
Deposit date:2014-08-31
Release date:2014-10-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:The Discovery of I-Bet726 (Gsk1324726A), a Potent Tetrahydroquinoline Apoa1 Up-Regulator and Selective Bet Bromodomain Inhibitor.
J.Med.Chem., 57, 2014
4UYG
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BU of 4uyg by Molmil
C-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A)
Descriptor: 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, BROMODOMAIN-CONTAINING PROTEIN 2, SULFATE ION
Authors:Chung, C, Bamborough, P, Gosmini, R.
Deposit date:2014-08-31
Release date:2014-10-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Discovery of I-Bet726 (Gsk1324726A), a Potent Tetrahydroquinoline Apoa1 Up-Regulator and Selective Bet Bromodomain Inhibitor.
J.Med.Chem., 57, 2014
1F68
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BU of 1f68 by Molmil
NMR SOLUTION STRUCTURE OF THE BROMODOMAIN FROM HUMAN GCN5
Descriptor: HISTONE ACETYLTRANSFERASE
Authors:Wright, P.E, Hudson, B.P, Dyson, H.J.
Deposit date:2000-06-20
Release date:2000-12-13
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure and acetyl-lysine binding activity of the GCN5 bromodomain.
J.Mol.Biol., 304, 2000
1EQF
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BU of 1eqf by Molmil
CRYSTAL STRUCTURE OF THE DOUBLE BROMODOMAIN MODULE FROM HUMAN TAFII250
Descriptor: RNA POLYMERASE II TRANSCRIPTION INITIATION FACTOR, SULFATE ION
Authors:Jacobson, R.H, Ladurner, A.G, King, D.S, Tjian, R.
Deposit date:2000-04-04
Release date:2000-06-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and function of a human TAFII250 double bromodomain module.
Science, 288, 2000
1E6I
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BU of 1e6i by Molmil
Bromodomain from GCN5 complexed with acetylated H4 peptide
Descriptor: HISTONE H4, TRANSCRIPTIONAL ACTIVATOR GCN5
Authors:Owen, D.J, Travers, A.A, Evans, P.R.
Deposit date:2000-08-18
Release date:2000-11-24
Last modified:2012-11-28
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:The Structural Basis for the Recognition of Acetylated Histone H4 by the Bromodomain of Histone Acetyltransferase Gcn5P
Embo J., 19, 2000
6EPU
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BU of 6epu by Molmil
The ATAD2 bromodomain in complex with compound 2
Descriptor: (2~{S})-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide, ATPase family AAA domain-containing protein 2, SULFATE ION
Authors:Sledz, P, Caflisch, A.
Deposit date:2017-10-12
Release date:2018-10-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020

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