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8UPF
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BU of 8upf by Molmil
Cryo-EM structure of the human nucleosome core particle in complex with RNF168-UbcH5c
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:2023-10-22
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
8TXW
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BU of 8txw by Molmil
Cryo-EM structure of the human nucleosome core particle ubiquitylated at histone H2A K15 in complex with RNF168 (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:2023-08-24
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
8UQE
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BU of 8uqe by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 26-residue linker (RING not modeled in density)
Descriptor: E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E
Authors:Hu, Q, Botuyan, M.V, Mer, G.
Deposit date:2023-10-23
Release date:2024-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.562 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8UQB
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BU of 8uqb by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 20-residue linker (crystallization condition 1)
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, ZINC ION
Authors:Hu, Q, Botuyan, M.V, Mer, G.
Deposit date:2023-10-23
Release date:2024-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.484 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8UQA
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BU of 8uqa by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 12-residue linker
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, SODIUM ION, ...
Authors:Hu, Q, Botuyan, M.V, Mer, G.
Deposit date:2023-10-23
Release date:2024-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8UQ9
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BU of 8uq9 by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 4-residue linker
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, GLYCEROL, ...
Authors:Hu, Q, Botuyan, M.V, Mer, G.
Deposit date:2023-10-23
Release date:2024-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8UQ8
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BU of 8uq8 by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 2-residue linker
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, GLYCEROL, ...
Authors:Hu, Q, Botuyan, M.V, Mer, G.
Deposit date:2023-10-23
Release date:2024-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8UQD
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BU of 8uqd by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 20-residue linker (condition 2. RING not modeled in density)
Descriptor: E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E
Authors:Hu, Q, Botuyan, M.V, Mer, G.
Deposit date:2023-10-23
Release date:2024-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.893 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8UQC
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BU of 8uqc by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 20-residue linker (crystallization condition 2)
Descriptor: E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, ZINC ION
Authors:Hu, Q, Botuyan, M.V, Mer, G.
Deposit date:2023-10-23
Release date:2024-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8V9U
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BU of 8v9u by Molmil
Solution NMR structure of human DNMT1 N-terminal alpha-helical domain
Descriptor: DNA (cytosine-5)-methyltransferase 1
Authors:Hu, Q, Botuyan, M.V, Mer, G.
Deposit date:2023-12-09
Release date:2024-02-28
Method:SOLUTION NMR
Cite:Solution NMR structure of human DNMT1 N-terminal alpha-helical domain
To Be Published
6D0L
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BU of 6d0l by Molmil
Structure of human TIRR
Descriptor: Tudor-interacting repair regulator protein
Authors:Cui, G, Botuyan, M.V, Mer, G.
Deposit date:2018-04-10
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Mechanism of 53BP1 activity regulation by RNA-binding TIRR and a designer protein.
Nat. Struct. Mol. Biol., 25, 2018
2QQR
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BU of 2qqr by Molmil
JMJD2A hybrid tudor domains
Descriptor: JmjC domain-containing histone demethylation protein 3A, SULFATE ION
Authors:Lee, J, Botuyan, M.V, Mer, G.
Deposit date:2007-07-26
Release date:2007-12-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Distinct binding modes specify the recognition of methylated histones H3K4 and H4K20 by JMJD2A-tudor.
Nat.Struct.Mol.Biol., 15, 2008
3U3Z
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BU of 3u3z by Molmil
Structure of human microcephalin (MCPH1) tandem BRCT domains in complex with an H2A.X peptide phosphorylated at Ser139 and Tyr142
Descriptor: GLYCEROL, Histone H2A.X peptide, Microcephalin
Authors:Singh, N, Thompson, J.R, Heroux, A, Mer, G.
Deposit date:2011-10-06
Release date:2012-07-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Dual recognition of phosphoserine and phosphotyrosine in histone variant H2A.X by DNA damage response protein MCPH1.
Proc.Natl.Acad.Sci.USA, 109, 2012
2ETX
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BU of 2etx by Molmil
Crystal Structure of MDC1 Tandem BRCT Domains
Descriptor: Mediator of DNA damage checkpoint protein 1
Authors:Wasielewski, E, Kim, Y, Joachimiak, A, Thompson, J.R, Mer, G.
Deposit date:2005-10-27
Release date:2005-11-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Molecular Basis for the Association of Microcephalin (MCPH1) Protein with the Cell Division Cycle Protein 27 (Cdc27) Subunit of the Anaphase-promoting Complex.
J.Biol.Chem., 287, 2012
4UV9
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BU of 4uv9 by Molmil
LSD1(KDM1A)-CoREST in complex with 1-Ethyl-Tranylcypromine
Descriptor: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS,10aS)-4a-[(1S,3E)-3-imino-1-phenylpentyl]-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate
Authors:Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C.
Deposit date:2014-08-05
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
4UVB
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BU of 4uvb by Molmil
LSD1(KDM1A)-CoREST in complex with 1-Methyl-Tranylcypromine (1S,2R)
Descriptor: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,7aS)-1-amino-1,10,11-trimethyl-4,6-dioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
Authors:Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C.
Deposit date:2014-08-05
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
4UVC
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BU of 4uvc by Molmil
LSD1(KDM1A)-CoREST in complex with 1-Phenyl-Tranylcypromine
Descriptor: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-[(1S)-1-azanyl-1,3-diphenyl-propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-4aH-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
Authors:Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C.
Deposit date:2014-08-05
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
4V2D
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BU of 4v2d by Molmil
FLRT2 LRR domain
Descriptor: FIBRONECTIN LEUCINE RICH TRANSMEMBRANE PROTEIN 2
Authors:Seiradake, E, del Toro, D, Nagel, D, Cop, F, Haertl, R, Ruff, T, Seyit-Bremer, G, Harlos, K, Border, E.C, Acker-Palmer, A, Jones, E.Y, Klein, R.
Deposit date:2014-10-08
Release date:2014-11-05
Last modified:2015-07-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development
Neuron, 84, 2014
4V2C
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BU of 4v2c by Molmil
mouse FLRT2 LRR domain in complex with rat Unc5D Ig1 domain
Descriptor: FIBRONECTIN LEUCINE RICH TRANSMEMBRANE PROTEIN 2, PROTEIN UNC5D
Authors:Seiradake, E, del Toro, D, Nagel, D, Cop, F, Haertl, R, Ruff, T, Seyit-Bremer, G, Harlos, K, Border, E.C, Acker-Palmer, A, Jones, E.Y, Klein, R.
Deposit date:2014-10-08
Release date:2014-11-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (4 Å)
Cite:Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development
Neuron, 84, 2014
4V5B
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BU of 4v5b by Molmil
Structure of PDF binding helix in complex with the ribosome.
Descriptor: 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Bingel-Erlenmeyer, R, Kohler, R, Kramer, G, Sandikci, A, Antolic, S, Maier, T, Schaffitzel, C, Wiedmann, B, Bukau, B, Ban, N.
Deposit date:2007-11-22
Release date:2014-07-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.74 Å)
Cite:A Peptide Deformylase-Ribosome Complex Reveals Mechanism of Nascent Chain Processing.
Nature, 452, 2008
8OI8
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BU of 8oi8 by Molmil
Cryo-EM structure of ADP-bound, filamentous beta-actin harboring the R183W mutation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
Authors:Oosterheert, W, Blanc, F.E.C, Roy, A, Belyy, A, Hofnagel, O, Hummer, G, Bieling, P, Raunser, S.
Deposit date:2023-03-22
Release date:2023-08-16
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (2.28 Å)
Cite:Molecular mechanisms of inorganic-phosphate release from the core and barbed end of actin filaments.
Nat.Struct.Mol.Biol., 30, 2023
6MXY
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BU of 6mxy by Molmil
Structure of 53BP1 tandem Tudor domains in complex with small molecule UNC3351
Descriptor: N-[3-(tert-butylamino)propyl]-3-(trifluoromethyl)benzamide, PHOSPHATE ION, TP53-binding protein 1
Authors:Cui, G, Botuyan, M.V, Mer, G.
Deposit date:2018-10-31
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.624 Å)
Cite:An autoinhibited state of 53BP1 revealed by small molecule antagonists and protein engineering.
Nat Commun, 14, 2023
6MXZ
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BU of 6mxz by Molmil
Structure of 53BP1 Tudor domains in complex with small molecule UNC3474
Descriptor: FORMIC ACID, N-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide, TP53-binding protein 1
Authors:Cui, G, Botuyan, M.V, Schuller, D.J, Mer, G.
Deposit date:2018-10-31
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An autoinhibited state of 53BP1 revealed by small molecule antagonists and protein engineering.
Nat Commun, 14, 2023
6MY0
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BU of 6my0 by Molmil
Structure of 53BP1 Tandem Tudor domains with E1549P and D1550N mutations
Descriptor: TP53-binding protein 1
Authors:Cui, G, Botuyan, M.V, Mer, G.
Deposit date:2018-10-31
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An autoinhibited state of 53BP1 revealed by small molecule antagonists and protein engineering.
Nat Commun, 14, 2023
6MXX
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BU of 6mxx by Molmil
Structure of 53BP1 tandem Tudor domains in complex with small molecule UNC2991
Descriptor: FORMIC ACID, N-[3-(tert-butylamino)propyl]-3-iodobenzamide, PHOSPHATE ION, ...
Authors:Cui, G, Botuyan, M.V, Mer, G.
Deposit date:2018-10-31
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:An autoinhibited state of 53BP1 revealed by small molecule antagonists and protein engineering.
Nat Commun, 14, 2023

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