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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
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
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
7QU7
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BU of 7qu7 by Molmil
ATAD2 in complex with FragLite16
Descriptor: 1,2-ETHANEDIOL, 4-bromanyl-1,8-naphthyridine, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-01-17
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QWO
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BU of 7qwo by Molmil
ATAD2 in complex with FragLite6
Descriptor: 1,2-ETHANEDIOL, 4-bromanyl-1~{H}-pyridin-2-one, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-01-25
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QX1
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BU of 7qx1 by Molmil
ATAD2 in complex with FragLite7
Descriptor: 1,2-ETHANEDIOL, 4-iodanyl-3~{H}-pyridin-2-one, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-01-26
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QXT
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BU of 7qxt by Molmil
ATAD2 in complex with FragLite10
Descriptor: 1,2-ETHANEDIOL, 6-bromo-1,3-dihydro-2H-indol-2-one, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-01-27
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QYL
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BU of 7qyl by Molmil
ATAD2 in complex with FragLite23
Descriptor: 1,2-ETHANEDIOL, 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-01-28
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QUK
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BU of 7quk by Molmil
ATAD2 in complex with FragLite1
Descriptor: 1,2-ETHANEDIOL, 4-bromo-1H-pyrazole, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-01-18
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QUM
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BU of 7qum by Molmil
ATAD2 in complex with FragLite2
Descriptor: 1,2-ETHANEDIOL, 4-IODOPYRAZOLE, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-01-18
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QZM
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BU of 7qzm by Molmil
ATAD2 in complex with FragLite28
Descriptor: 1,2-ETHANEDIOL, 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-01-31
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QYK
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BU of 7qyk by Molmil
ATAD2 in complex with FragLite18
Descriptor: (4-bromanylpyridin-2-yl)methanol, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-01-28
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QZY
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BU of 7qzy by Molmil
ATAD2 in complex with FragLite29
Descriptor: 1,2-ETHANEDIOL, 4-bromanyl-1-(2-methoxyethyl)pyridin-2-one, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-02-01
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7R05
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BU of 7r05 by Molmil
ATAD2 in complex with PepLite-Ile
Descriptor: (2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-02-01
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7R0Y
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BU of 7r0y by Molmil
ATAD2 in complex with PepLite-Glu
Descriptor: (2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-02-02
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QZZ
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BU of 7qzz by Molmil
ATAD2 in complex with FragLite31
Descriptor: 1,2-ETHANEDIOL, 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-02-01
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7R00
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BU of 7r00 by Molmil
ATAD2 in complex with FragLite33
Descriptor: 1,2-ETHANEDIOL, 3-azanyl-5-bromanyl-1-methyl-pyridin-2-one, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-02-01
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7Z9I
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BU of 7z9i by Molmil
ATAD2 in complex with PepLite-Ala
Descriptor: (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-03-21
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7Z9U
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BU of 7z9u by Molmil
ATAD2 in complex with Acetyl-Lys
Descriptor: (2S)-2,6-diacetamido-N-methyl-hexanamide, 1,2-ETHANEDIOL, ARGININE, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-03-21
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7Z9N
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BU of 7z9n by Molmil
ATAD2 in complex with PepLite-Val
Descriptor: (2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-03-21
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7Z9H
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BU of 7z9h by Molmil
ATAD2 in complex with PepLite-Asp
Descriptor: (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-03-21
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022

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