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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
6X7B
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BU of 6x7b by Molmil
BRD4 Bromodomain 1 in complex with multi-action inhibitor SRX3212P
Descriptor: 7-[7-oxo-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide, Bromodomain-containing protein 4
Authors:Vann, K.R, Kutateladze, T.G.
Deposit date:2020-05-29
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Design of thienopyranone-based BET inhibitors that bind multiple synthetic lethality targets.
Sci Rep, 10, 2020
6X7C
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BU of 6x7c by Molmil
BRD4 Bromodomain 1 in complex with multi-action inhibitor SRX3212
Descriptor: 7-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide, Bromodomain-containing protein 4
Authors:Vann, K.R, Kutateladze, T.G.
Deposit date:2020-05-29
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design of thienopyranone-based BET inhibitors that bind multiple synthetic lethality targets.
Sci Rep, 10, 2020
6X7D
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BU of 6x7d by Molmil
BRD4 Bromodomain 1 in complex with multi-action inhibitor SF2523P
Descriptor: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 4
Authors:Vann, K.R, Kutateladze, T.G.
Deposit date:2020-05-29
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design of thienopyranone-based BET inhibitors that bind multiple synthetic lethality targets.
Sci Rep, 10, 2020
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
5TDW
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BU of 5tdw by Molmil
Set3 PHD finger in complex with histone H3K4me3
Descriptor: SET domain-containing protein 3, SODIUM ION, ZINC ION, ...
Authors:Andrews, F.H, Ali, M, Kutateladze, T.G.
Deposit date:2016-09-19
Release date:2016-10-19
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Insight into Recognition of Methylated Histone H3K4 by Set3.
J. Mol. Biol., 429, 2017
5SVX
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BU of 5svx by Molmil
MORC3 CW in complex with histone H3K4me3
Descriptor: H3K4me3, MORC family CW-type zinc finger protein 3, ZINC ION
Authors:Tong, Q, Andrews, F.H, Kutateladze, T.G.
Deposit date:2016-08-08
Release date:2016-10-05
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Multivalent Chromatin Engagement and Inter-domain Crosstalk Regulate MORC3 ATPase.
Cell Rep, 16, 2016
5SVI
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BU of 5svi by Molmil
MORC3 CW domain in complex with unmodified histone H3
Descriptor: ALA-ARG-THR-LYS-GLN-THR-ALA-ARG, MORC family CW-type zinc finger protein 3, ZINC ION
Authors:Tong, Q, Andrews, F.H, Kutateladze, T.G.
Deposit date:2016-08-06
Release date:2016-12-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.613 Å)
Cite:Multivalent Chromatin Engagement and Inter-domain Crosstalk Regulate MORC3 ATPase.
Cell Rep, 16, 2016
5SVY
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BU of 5svy by Molmil
MORC3 CW in complex with histone H3K4me1
Descriptor: ACETATE ION, H3K4me1, MORC family CW-type zinc finger protein 3, ...
Authors:Tong, Q, Andrews, F.H, Kutateladze, T.G.
Deposit date:2016-08-08
Release date:2016-10-05
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Multivalent Chromatin Engagement and Inter-domain Crosstalk Regulate MORC3 ATPase.
Cell Rep, 16, 2016
5TAB
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BU of 5tab by Molmil
Crystal Structure of the PHD Finger of PHF20
Descriptor: GLYCEROL, PHD finger protein 20, ZINC ION
Authors:Klein, B.J, Kutateladze, T.G.
Deposit date:2016-09-09
Release date:2016-10-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:PHF20 Readers Link Methylation of Histone H3K4 and p53 with H4K16 Acetylation.
Cell Rep, 17, 2016
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
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
9ATN
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BU of 9atn by Molmil
NMR structure of the MLL4 PHD2/3 fingers in complex with ASXL2
Descriptor: Histone-lysine N-methyltransferase 2D, Polycomb group protein ASXL2, ZINC ION
Authors:Zhang, Y, Zandian, M, Kutateladze, T.
Deposit date:2024-02-27
Release date:2024-06-19
Method:SOLUTION NMR
Cite:ASXLs binding to the PHD2/3 fingers of MLL4 provides a mechanism for the recruitment of BAP1 to active enhancers.
Nat Commun, 15, 2024
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
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
Last modified:2024-10-16
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
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:2024-10-23
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:2024-06-19
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Dusquetide modulates innate immune response through binding to p62.
Structure, 30, 2022

227344

數據於2024-11-13公開中

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