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6H8P
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BU of 6h8p by Molmil
JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Histone H1.4(18-32)K26me3 peptide (15-mer)
Descriptor: CHLORIDE ION, GLYCEROL, Histone H1.4, ...
Authors:Chowdhury, R, Walport, L.J, Schofield, C.J.
Deposit date:2018-08-03
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.983 Å)
Cite:Mechanistic and structural studies of KDM-catalysed demethylation of histone 1 isotype 4 at lysine 26.
FEBS Lett., 592, 2018
5FWE
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BU of 5fwe by Molmil
JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H4(1-15)R3me2s PEPTIDE
Descriptor: CHLORIDE ION, GLYCEROL, LYSINE-SPECIFIC DEMETHYLASE 4A, ...
Authors:Chowdhury, R, Walport, L.J, Schofield, C.J.
Deposit date:2016-02-15
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Arginine Demethylation is Catalysed by a Subset of Jmjc Histone Lysine Demethylases.
Nat.Commun., 7, 2016
6U4A
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BU of 6u4a by Molmil
BRD3-BD1 in complex with the cyclic peptide 3.1_3
Descriptor: Bromodomain-containing protein 3, GLYCEROL, SULFATE ION, ...
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-08-24
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
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
6U71
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BU of 6u71 by Molmil
BRD2-BD2 in complex with the cyclic peptide 3.1_3
Descriptor: Bromodomain-containing protein 2, cyclic peptide 3.1_3
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 (1.47 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
6U61
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BU of 6u61 by Molmil
BRD2-BD1 in complex with the cyclic peptide 3.1_3
Descriptor: Bromodomain-containing protein 2, ZINC ION, cyclic peptide 3.1_3
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-08-28
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ULQ
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BU of 6ulq by Molmil
BRD2-BD1 in complex with the cyclic peptide 4.2_3
Descriptor: Bromodomain-containing protein 2, Cyclic peptide 4.2_3
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-10-08
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 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
6U8H
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BU of 6u8h by Molmil
BRD2-BD1 in complex with the cyclic peptide 3.2_2
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, AMINO GROUP, Bromodomain-containing protein 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 (2.07 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
6ULP
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BU of 6ulp by Molmil
BRD3-BD2 in complex with the cyclic peptide 3.2_3
Descriptor: Bromodomain-containing protein 3, Cyclic peptide 3.2_3
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-10-08
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 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
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
6ULT
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BU of 6ult by Molmil
BRD2-BD2 in complex with the cyclic peptide 4.2_3
Descriptor: Bromodomain-containing protein 2, Cyclic peptide 4.2_3
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-10-08
Release date:2021-02-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
3ZLI
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BU of 3zli by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FE (II) ION, ...
Authors:Vollmar, M, Gileadi, C, Shrestha, L, Goubin, S, Johansson, C, Krojer, T, Raynor, J.W, Bradley, A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2013-01-31
Release date:2013-02-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human Uty(Kdm6C) is a Male-Specific Nepsilon-Methyl Lysyl Demethylase.
J.Biol.Chem., 289, 2014
3ZPO
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BU of 3zpo by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY with bound GSK J1
Descriptor: 1,2-ETHANEDIOL, 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, FE (II) ION, ...
Authors:Vollmar, M, Gileadi, C, Shrestha, L, Goubin, S, Johansson, C, Krojer, T, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2013-02-28
Release date:2013-05-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human Uty(Kdm6C) is a Male-Specific Nepislon-Methyl Lysyl Demethylase.
J.Biol.Chem., 289, 2014
8DNQ
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BU of 8dnq by Molmil
BRD2-BD1 in complex with cyclic peptide 2.2B
Descriptor: Bromodomain-containing protein 2, Cyclic peptide 2.2B, GLYCEROL
Authors:Patel, K, Franck, C, Mackay, J.P.
Deposit date:2022-07-11
Release date:2023-07-19
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins.
Structure, 31, 2023
5LY1
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BU of 5ly1 by Molmil
JMJD2A/ KDM4A COMPLEXED WITH NI(II) AND Macrocyclic PEPTIDE Inhibitor CP2 (13-mer)
Descriptor: CHLORIDE ION, CP2, GLYCEROL, ...
Authors:King, O.N.F, Chowdhury, R, Kawamura, A, Schofield, C.J.
Deposit date:2016-09-23
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Highly selective inhibition of histone demethylases by de novo macrocyclic peptides.
Nat Commun, 8, 2017
5LY2
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BU of 5ly2 by Molmil
JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Macrocyclic PEPTIDE Inhibitor CP2_R6Kme3 (13-mer)
Descriptor: CHLORIDE ION, CP2_R6Kme3, GLYCEROL, ...
Authors:Chowdhury, R, Madden, S.K, Hopkinson, R, Schofield, C.J.
Deposit date:2016-09-23
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Highly selective inhibition of histone demethylases by de novo macrocyclic peptides.
Nat Commun, 8, 2017
4V2W
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BU of 4v2w by Molmil
JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H3K27me3 PEPTIDE (16-35)
Descriptor: CHLORIDE ION, GLYCEROL, HISTONE H3.1T, ...
Authors:Chowdhury, R, Zafred, D, Schofield, C.J.
Deposit date:2014-10-15
Release date:2014-11-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Studies on the Catalytic Domains of Multiple Jmjc Oxygenases Using Peptide Substrates.
Epigenetics, 9, 2014
4V2V
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BU of 4v2v by Molmil
JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H3K27me3 PEPTIDE (25-29) ARK(me3)SA
Descriptor: CHLORIDE ION, HISTONE H3.1T, LYSINE-SPECIFIC DEMETHYLASE 4A, ...
Authors:Chowdhury, R, Madden, S.K, Schofield, C.J.
Deposit date:2014-10-15
Release date:2014-11-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Studies on the Catalytic Domains of Multiple Jmjc Oxygenases Using Peptide Substrates.
Epigenetics, 9, 2014
4JHT
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BU of 4jht by Molmil
Crystal Structure of AlkB in complex with 5-carboxy-8-hydroxyquinoline (IOX1)
Descriptor: 8-hydroxyquinoline-5-carboxylic acid, ACETATE ION, Alpha-ketoglutarate-dependent dioxygenase AlkB, ...
Authors:Aik, W.S, McDonough, M.A, Schofield, C.J.
Deposit date:2013-03-05
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:5-Carboxy-8-hydroxyquinoline is a Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor which Causes Iron Translocation.
Chem Sci, 4, 2013

 

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