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4OO4
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BU of 4oo4 by Molmil
Crystal Structure of Human Thioredoxin Mutant
Descriptor: Thioredoxin
Authors:The, J, Weichsel, A, Montfort, W.R.
Deposit date:2014-01-30
Release date:2014-02-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Crystal Structure of a Thioredoxin Mutant Displays a Dynamic N-terminal Loop Surrounding an S-nitrosation Site
To be Published
3OXG
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BU of 3oxg by Molmil
human lysine methyltransferase Smyd3 in complex with AdoHcy (Form III)
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, SET and MYND domain-containing protein 3, ZINC ION
Authors:Xu, S, Wu, J, Sun, B, Zhong, C, Ding, J.
Deposit date:2010-09-21
Release date:2011-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Structural and biochemical studies of human lysine methyltransferase Smyd3 reveal the important functional roles of its post-SET and TPR domains and the regulation of its activity by DNA binding.
Nucleic Acids Res., 39, 2011
3OXF
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BU of 3oxf by Molmil
Human lysine methyltransferase Smyd3 in complex with AdoHcy (Form I)
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, SET and MYND domain-containing protein 3, ZINC ION
Authors:Xu, S, Wu, J, Sun, B, Zhong, C, Ding, J.
Deposit date:2010-09-21
Release date:2011-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structural and biochemical studies of human lysine methyltransferase Smyd3 reveal the important functional roles of its post-SET and TPR domains and the regulation of its activity by DNA binding.
Nucleic Acids Res., 39, 2011
5XPT
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BU of 5xpt by Molmil
Crystal structure of MAD2L2/REV7 in complex with a CAMP fragment in a tetragonal crystal
Descriptor: Chromosome alignment-maintaining phosphoprotein 1, Mitotic spindle assembly checkpoint protein MAD2B
Authors:Hara, K, Taharazako, S, Hashimoto, H.
Deposit date:2017-06-05
Release date:2017-09-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Dynamic feature of mitotic arrest deficient 2-like protein 2 (MAD2L2) and structural basis for its interaction with chromosome alignment-maintaining phosphoprotein (CAMP).
J. Biol. Chem., 292, 2017
3PDN
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BU of 3pdn by Molmil
Crystal structure of SmyD3 in complex with methyltransferase inhibitor sinefungin
Descriptor: GLYCEROL, MAGNESIUM ION, SET and MYND domain-containing protein 3, ...
Authors:Sirinupong, N, Brunzelle, J, Yang, Z.
Deposit date:2010-10-23
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Insights into the Autoinhibition and Posttranslational Activation of Histone Methyltransferase SmyD3.
J.Mol.Biol., 406, 2011
7K79
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BU of 7k79 by Molmil
CBF3
Descriptor: Centromere DNA-binding protein complex CBF3 subunit B, Centromere DNA-binding protein complex CBF3 subunit C, Suppressor of kinetochore protein 1
Authors:Ruifang, G, Yawen, B.
Deposit date:2020-09-22
Release date:2021-03-31
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural and dynamic mechanisms of CBF3-guided centromeric nucleosome formation.
Nat Commun, 12, 2021
5F28
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BU of 5f28 by Molmil
Crystal structure of FAT domain of Focal Adhesion Kinase (FAK) bound to the transcription factor MEF2C
Descriptor: Focal adhesion kinase 1, MEF2C
Authors:Cardoso, A.C, Ambrosio, A.L.B, Dessen, A, Franchini, K.G.
Deposit date:2015-12-01
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:FAK Forms a Complex with MEF2 to Couple Biomechanical Signaling to Transcription in Cardiomyocytes.
Structure, 24, 2016
8SMW
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BU of 8smw by Molmil
Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c~Ub (UbcH5c chemically conjugated to histone H2A. No density for Ub.) (class 1)
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
Authors:Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G.
Deposit date:2023-04-26
Release date:2024-01-17
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8SMX
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BU of 8smx by Molmil
Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c~Ub (UbcH5c chemically conjugated to histone H2A. No density for Ub.) (class 2)
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
Authors:Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G.
Deposit date:2023-04-26
Release date:2024-01-17
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8SN7
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BU of 8sn7 by Molmil
Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c~Ub (UbcH5c chemically conjugated to histone H2A) (class 5)
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
Authors:Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G.
Deposit date:2023-04-26
Release date:2024-01-17
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8SN6
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BU of 8sn6 by Molmil
Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c~Ub (UbcH5c chemically conjugated to histone H2A) (class 4)
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
Authors:Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G.
Deposit date:2023-04-26
Release date:2024-01-17
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8SN4
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BU of 8sn4 by Molmil
Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c~Ub (UbcH5c chemically conjugated to histone H2A) (class 2)
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
Authors:Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G.
Deposit date:2023-04-26
Release date:2024-01-17
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8SN2
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BU of 8sn2 by Molmil
Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c (UbcH5c chemically conjugated to histone H2A)
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
Authors:Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G.
Deposit date:2023-04-26
Release date:2024-01-17
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8SMY
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BU of 8smy by Molmil
Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c~Ub (UbcH5c chemically conjugated to histone H2A. No density for Ub.) (class 3)
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
Authors:Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G.
Deposit date:2023-04-26
Release date:2024-01-17
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8SN5
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BU of 8sn5 by Molmil
Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c~Ub (UbcH5c chemically conjugated to histone H2A) (class 3)
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
Authors:Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G.
Deposit date:2023-04-26
Release date:2024-01-17
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8SN3
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BU of 8sn3 by Molmil
Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c~Ub (UbcH5c chemically conjugated to histone H2A) (class 1)
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
Authors:Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G.
Deposit date:2023-04-26
Release date:2024-01-17
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8SMZ
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BU of 8smz by Molmil
Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c~Ub (UbcH5c chemically conjugated to histone H2A. No density for Ub.) (Class 4)
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
Authors:Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G.
Deposit date:2023-04-26
Release date:2024-01-17
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8SN8
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BU of 8sn8 by Molmil
Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c~Ub (UbcH5c chemically conjugated to histone H2A) (class 6)
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
Authors:Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G.
Deposit date:2023-04-26
Release date:2024-01-17
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8SN9
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BU of 8sn9 by Molmil
Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c with backside ubiquitin (UbcH5c chemically conjugated to histone H2A) (class 1)
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
Authors:Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G.
Deposit date:2023-04-26
Release date:2024-01-17
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8SN0
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BU of 8sn0 by Molmil
Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c~Ub (UbcH5c chemically conjugated to histone H2A. No density for Ub.) (class 5)
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
Authors:Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G.
Deposit date:2023-04-26
Release date:2024-01-17
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8SN1
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BU of 8sn1 by Molmil
Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c~Ub (UbcH5c chemically conjugated to histone H2A. No density for Ub.) (class 6)
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
Authors:Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G.
Deposit date:2023-04-26
Release date:2024-01-17
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
7JTC
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BU of 7jtc by Molmil
Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ZS1-322
Descriptor: 1,2-ETHANEDIOL, 1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(methylsulfanyl)pyrimidin-4-yl}cyclopropane-1-sulfonimidoamide, Transcription initiation factor TFIID subunit 1
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2020-08-17
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ZS1-322
To Be Published
7JSP
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BU of 7jsp by Molmil
Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ATR kinase inhibitor AZD6738
Descriptor: 1,2-ETHANEDIOL, 4-(4-{1-[(R)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine, SULFATE ION, ...
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2020-08-15
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
7K0D
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BU of 7k0d by Molmil
Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to mTORC1/2 inhibitor AZD3147
Descriptor: N-(4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl}phenyl)-N'-(2-hydroxyethyl)thiourea, Transcription initiation factor TFIID subunit 1
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2020-09-04
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
7K0U
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BU of 7k0u by Molmil
Crystal structure of the second bromodomain (BD2) of human TAF1 bound to PLK1 kinase inhibitor BI2536
Descriptor: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Transcription initiation factor TFIID subunit 1
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2020-09-06
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022

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