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6WW4
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BU of 6ww4 by Molmil
Crystal structure of HERC2 ZZ domain in complex with histone H3 tail
Descriptor: GLYCEROL, Histone H3.1,E3 ubiquitin-protein ligase HERC2, ZINC ION
Authors:Liu, J, Vann, K.R, Kutateladze, T.G.
Deposit date:2020-05-07
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:Structural Insight into Binding of the ZZ Domain of HERC2 to Histone H3 and SUMO1.
Structure, 28, 2020
6WW3
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BU of 6ww3 by Molmil
Crystal structure of HERC2 ZZ domain in complex with SUMO1 tail
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, SUMO1 linked HERC2 ZZ domain (Small ubiquitin-related modifier 1,E3 ubiquitin-protein ligase HERC2), ...
Authors:Liu, J, Vann, K.R, Kutateladze, T.G.
Deposit date:2020-05-07
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Structural Insight into Binding of the ZZ Domain of HERC2 to Histone H3 and SUMO1.
Structure, 28, 2020
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
2GP5
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BU of 2gp5 by Molmil
Crystal structure of catalytic core domain of jmjd2A complexed with alpha-Ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, FE (II) ION, Jumonji domain-containing protein 2A, ...
Authors:Chen, Z, Zang, J, Whetstine, J, Hong, X, Davrazou, F, Kutateladze, T.G, Simpson, M, Dai, S, Hagman, J, Shi, Y, Zhang, G.
Deposit date:2006-04-16
Release date:2006-05-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural insights into histone demethylation by JMJD2 family members
Cell(Cambridge,Mass.), 125, 2006
2GP3
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BU of 2gp3 by Molmil
Crystal structure of the catalytic core domain of jmjd2a
Descriptor: FE (II) ION, Jumonji domain-containing protein 2A, ZINC ION
Authors:Chen, Z, Zang, J, Whetstine, J, Hong, X, Davrazou, F, Kutateladze, T.G, Simpson, M, Dai, S, Hagman, J, Shi, Y, Zhang, G.
Deposit date:2006-04-16
Release date:2006-05-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural insights into histone demethylation by JMJD2 family members
Cell(Cambridge,Mass.), 125, 2006
5TDR
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BU of 5tdr by Molmil
Set3 PHD finger in complex with histone H3K4me2
Descriptor: Histone H3, SET domain-containing protein 3, SODIUM ION, ...
Authors:Andrews, F.H, Ali, M, Kutateladze, T.G.
Deposit date:2016-09-19
Release date:2016-11-02
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structural Insight into Recognition of Methylated Histone H3K4 by Set3.
J. Mol. Biol., 429, 2017
5U28
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BU of 5u28 by Molmil
BRD4 first bromodomain (BD1) in complex with dual PI3 kinase inhibitor SF2523
Descriptor: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 4, DI(HYDROXYETHYL)ETHER, ...
Authors:Andrews, F.H, Kutateladze, T.G.
Deposit date:2016-11-30
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U2C
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BU of 5u2c by Molmil
BRD4 second bromodomain (BD2) in complex with dual PI3 kinase (PI3K) inhibitor SF2558HA
Descriptor: Bromodomain-containing protein 4, N-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzamide
Authors:Andrews, F.H, Kutateladze, T.G.
Deposit date:2016-11-30
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U2J
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BU of 5u2j by Molmil
MORF double PHD finger (DPF) in complex with histone H3K14bu
Descriptor: Histone H3K14bu, Histone acetyltransferase KAT6B, ZINC ION
Authors:Andrews, F.H, Klein, B.J, Kutateladze, T.G.
Deposit date:2016-11-30
Release date:2017-04-12
Last modified:2017-04-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Recognition of Histone H3K14 Acylation by MORF.
Structure, 25, 2017
5U2E
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BU of 5u2e by Molmil
BRD4 first bromodomain (BD1) in complex with dual PI3 kinase (PI3K) inhibitor SF2535
Descriptor: Bromodomain-containing protein 4, ethyl 4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzoate
Authors:Andrews, F.H, Kutateladze, T.G.
Deposit date:2016-11-30
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5WLE
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BU of 5wle by Molmil
Crystal structure of the PPS PHD finger in complex with H3K4me3
Descriptor: H3K4me3 Peptide, Protein partner of snf, isoform A, ...
Authors:Klein, B.J, Kutateladze, T.G.
Deposit date:2017-07-26
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:A Unique pH-Dependent Recognition of Methylated Histone H3K4 by PPS and DIDO.
Structure, 25, 2017
5WLF
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BU of 5wlf by Molmil
Crystal structure of the apo PPS PHD finger
Descriptor: GLYCEROL, Protein partner of snf, isoform A, ...
Authors:Klein, B.J, Kutateladze, T.G.
Deposit date:2017-07-26
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Unique pH-Dependent Recognition of Methylated Histone H3K4 by PPS and DIDO.
Structure, 25, 2017
5U2F
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BU of 5u2f by Molmil
BRD4 first bromodomain (BD1) in complex with dual PI3 kinase (PI3K) inhibitor SF2558HA
Descriptor: Bromodomain-containing protein 4, N-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzamide
Authors:Andrews, F.H, Kutateladze, T.G.
Deposit date:2016-11-30
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.525 Å)
Cite:Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6MIU
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BU of 6miu by Molmil
Crystal structure of p62 ZZ domain in complex with Arg-Glu peptide
Descriptor: Sequestosome-1, Arg-Glu peptide chimera, ZINC ION
Authors:Ahn, J, Zhang, Y, Kutateladze, T.G.
Deposit date:2018-09-20
Release date:2018-10-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:ZZ-dependent regulation of p62/SQSTM1 in autophagy.
Nat Commun, 9, 2018
6MJ7
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BU of 6mj7 by Molmil
Crystal structure of p62 ZZ domain in complex with free arginine
Descriptor: 1,4-DIETHYLENE DIOXIDE, ARGININE, Sequestosome-1, ...
Authors:Ahn, J, Zhang, Y, Kutateladze, T.G.
Deposit date:2018-09-20
Release date:2018-10-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.412 Å)
Cite:ZZ-dependent regulation of p62/SQSTM1 in autophagy.
Nat Commun, 9, 2018
6O1E
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BU of 6o1e by Molmil
The crystal structure of human MORC3 ATPase-CW in complex with AMPPNP
Descriptor: MAGNESIUM ION, MORC family CW-type zinc finger protein 3, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Klein, B.J, Zhang, Y, Kutateladze, T.G.
Deposit date:2019-02-19
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Mechanism for autoinhibition and activation of the MORC3 ATPase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6O7G
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BU of 6o7g by Molmil
Solution structure of MLL4 PHD6 domain in complex with histone H4K16ac peptide
Descriptor: Histone H4, Histone-lysine N-methyltransferase 2D, ZINC ION
Authors:Zhang, Y, Kutateladze, T.G.
Deposit date:2019-03-07
Release date:2019-05-22
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Selective binding of the PHD6 finger of MLL4 to histone H4K16ac links MLL4 and MOF.
Nat Commun, 10, 2019
8F5Q
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BU of 8f5q by Molmil
Crystal structure of human PCNA in complex with the PIP box of FBH1
Descriptor: F-box DNA helicase 1, Proliferating cell nuclear antigen
Authors:Liu, J, Chaves-Arquero, B, Wei, P, Tencer, H, Zhang, G, Blanco, F, Kutateladze, T.
Deposit date:2022-11-15
Release date:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular insight into the PCNA-binding mode of FBH1.
Structure, 31, 2023
5IOK
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BU of 5iok by Molmil
Crystal structure of Taf14 YEATS domain in complex with histone H3K9cr
Descriptor: (ACE)QTAR(KCR)ST, DI(HYDROXYETHYL)ETHER, Transcription initiation factor TFIID subunit 14
Authors:Andrews, F.H, Kuateladze, T.G.
Deposit date:2016-03-08
Release date:2016-04-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:The Taf14 YEATS domain is a reader of histone crotonylation.
Nat.Chem.Biol., 12, 2016
5XNV
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BU of 5xnv by Molmil
Crystal structure of YEATS2 YEATS bound to H3K27ac peptide
Descriptor: ALA-ALA-ARG-ALY-SER-ALA-PRO-ALA, AMMONIUM ION, CHLORIDE ION, ...
Authors:Li, H.T, Guan, H.P, Zhao, D.
Deposit date:2017-05-24
Release date:2017-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.696 Å)
Cite:YEATS2 links histone acetylation to tumorigenesis of non-small cell lung cancer.
Nat Commun, 8, 2017
3OQ5
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BU of 3oq5 by Molmil
Crystal structure of the 3-MBT domain from human L3MBTL1 in complex with p53K382me1
Descriptor: Cellular tumor antigen p53, Lethal(3)malignant brain tumor-like protein
Authors:Roy, S, West, L.E, Weiner, K.L, Hayashi, R, Shi, X, Appella, E, Gozani, O, Kutateladze, T.
Deposit date:2010-09-02
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5005 Å)
Cite:The MBT Repeats of L3MBTL1 Link SET8-mediated p53 Methylation at Lysine 382 to Target Gene Repression.
J.Biol.Chem., 285, 2010
6WXK
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BU of 6wxk by Molmil
PHF23 PHD Domain Apo
Descriptor: PHD finger protein 23, ZINC ION
Authors:Vann, K.R, Zhang, J, Zhang, Y, Kutateladze, T.
Deposit date:2020-05-11
Release date:2020-07-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mechanistic insights into chromatin targeting by leukemic NUP98-PHF23 fusion.
Nat Commun, 11, 2020
7R1O
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BU of 7r1o by Molmil
p62-ZZ domain of the human sequestosome in complex with dusquetide
Descriptor: Dusquetide, Sequestosome-1, ZINC ION
Authors:Hakansson, M, Hansson, M, Logan, D.T, Rozek, A, Donini, O.
Deposit date:2022-02-03
Release date:2022-05-18
Last modified:2022-08-17
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Dusquetide modulates innate immune response through binding to p62.
Structure, 30, 2022
2L5U
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BU of 2l5u by Molmil
Structure of the first PHD finger (PHD1) from CHD4 (Mi2b)
Descriptor: Chromodomain-helicase-DNA-binding protein 4, ZINC ION
Authors:Mansfield, R.E, Kwan, A.H, Mackay, J.P.
Deposit date:2010-11-08
Release date:2011-01-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Plant Homeodomain (PHD) Fingers of CHD4 Are Histone H3-binding Modules with Preference for Unmodified H3K4 and Methylated H3K9
J.Biol.Chem., 286, 2011
2MWO
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BU of 2mwo by Molmil
Solution structure of 53BP1 tandem Tudor domains in complex with a p53K370me2 peptide
Descriptor: Cellular tumor antigen p53, Tumor suppressor p53-binding protein 1
Authors:Cui, G, Botuyan, M.V, Mer, G.
Deposit date:2014-11-15
Release date:2014-12-10
Last modified:2015-03-18
Method:SOLUTION NMR
Cite:Structural Plasticity of Methyllysine Recognition by the Tandem Tudor Domain of 53BP1.
Structure, 23, 2015

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