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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
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
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
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
8QTH
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BU of 8qth by Molmil
Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 8)
Descriptor: 1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridin-6-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2023-10-12
Release date:2024-01-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
8QTG
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BU of 8qtg by Molmil
Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 9)
Descriptor: 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)-1~{H}-pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2023-10-12
Release date:2024-01-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.419 Å)
Cite:Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
8QTJ
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BU of 8qtj by Molmil
Crystal structure of Cbl-b in complex with an allosteric inhibitor (compound 30)
Descriptor: 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1~{R})-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2023-10-12
Release date:2024-01-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.523 Å)
Cite:Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
8QNH
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BU of 8qnh by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (WO2020264398 Ex23)
Descriptor: 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2023-09-26
Release date:2023-11-22
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
8QNG
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BU of 8qng by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine HTS hit compound 1)
Descriptor: 2-(morpholin-4-ylmethyl)-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2023-09-26
Release date:2023-11-22
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
8QNI
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BU of 8qni by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine compound 25)
Descriptor: 2-[[(2~{S})-2-methylmorpholin-4-yl]methyl]-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydropyrido[3,4-e][1,4]diazepin-3-yl]benzamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2023-09-26
Release date:2023-11-22
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.483 Å)
Cite:Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
8AMR
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BU of 8amr by Molmil
Coiled-coil domain of human TRIM3
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, GLYCEROL, Tripartite motif-containing protein 3
Authors:Perez-Borrajero, C, Murciano, B, Hennig, J.
Deposit date:2022-08-04
Release date:2023-11-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural and biophysical studies of TRIM2 and TRIM3
To Be Published
8T3T
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BU of 8t3t by Molmil
Structure of Bre1-nucleosome complex - state3
Descriptor: 601 DNA strand 1, 601 DNA strand 2, E3 ubiquitin-protein ligase BRE1, ...
Authors:Zhao, F, Hicks, C.W, Wolberger, C.
Deposit date:2023-06-07
Release date:2023-10-18
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Mechanism of histone H2B monoubiquitination by Bre1.
Nat.Struct.Mol.Biol., 30, 2023
8T3W
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BU of 8t3w by Molmil
Structure of Bre1-nucleosome complex - state2
Descriptor: 601 DNA strand 1, 601 DNA strand 2, E3 ubiquitin-protein ligase BRE1, ...
Authors:Zhao, F, Hicks, C.W, Wolberger, C.
Deposit date:2023-06-07
Release date:2023-10-18
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Mechanism of histone H2B monoubiquitination by Bre1.
Nat.Struct.Mol.Biol., 30, 2023
8T3Y
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BU of 8t3y by Molmil
Structure of Bre1-nucleosome complex - state1
Descriptor: 601 DNA Strand 1, 601 DNA Strand 2, E3 ubiquitin-protein ligase BRE1, ...
Authors:Zhao, F, Hicks, C.W, Wolberger, C.
Deposit date:2023-06-08
Release date:2023-10-18
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Mechanism of histone H2B monoubiquitination by Bre1.
Nat.Struct.Mol.Biol., 30, 2023
8GUI
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BU of 8gui by Molmil
Bre1-nucleosome complex (Model I)
Descriptor: DNA (147-mer), E3 ubiquitin-protein ligase BRE1A, E3 ubiquitin-protein ligase BRE1B, ...
Authors:Onishi, S, Hamada, K, Sato, K, Nishizawa, T, Nureki, O, Ogata, K, Sengoku, T.
Deposit date:2022-09-12
Release date:2023-09-20
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Structure of the human Bre1 complex bound to the nucleosome.
Nat Commun, 15, 2024
8GUJ
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BU of 8guj by Molmil
Bre1-nucleosome complex (Model II)
Descriptor: DNA (147-mer), E3 ubiquitin-protein ligase BRE1A, E3 ubiquitin-protein ligase BRE1B, ...
Authors:Onishi, S, Sato, K, Hamada, K, Nishizawa, T, Nureki, O, Ogata, K, Sengoku, T.
Deposit date:2022-09-12
Release date:2023-09-20
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure of the human Bre1 complex bound to the nucleosome.
Nat Commun, 15, 2024
8IEJ
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BU of 8iej by Molmil
RNF20-RNF40/hRad6A-Ub/nucleosome complex
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase BRE1A, E3 ubiquitin-protein ligase BRE1B, ...
Authors:Ai, H, Deng, Z, Sun, M, Du, Y, Pan, M, Liu, L.
Deposit date:2023-02-15
Release date:2023-09-06
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Mechanistic insights into nucleosomal H2B monoubiquitylation mediated by yeast Bre1-Rad6 and its human homolog RNF20/RNF40-hRAD6A.
Mol.Cell, 83, 2023
8IEG
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BU of 8ieg by Molmil
Bre1(mRBD-RING)/Rad6-Ub/nucleosome complex
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase BRE1, Histone H2A type 1-B/E, ...
Authors:Ai, H, Deng, Z, Pan, M, Liu, L.
Deposit date:2023-02-15
Release date:2023-09-06
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Mechanistic insights into nucleosomal H2B monoubiquitylation mediated by yeast Bre1-Rad6 and its human homolog RNF20/RNF40-hRAD6A.
Mol.Cell, 83, 2023
8A58
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BU of 8a58 by Molmil
X-ray structure of TRIM21 RING E3 ligase in complex with E2 enzyme Ube2W
Descriptor: E3 ubiquitin-protein ligase TRIM21, Ubiquitin-conjugating enzyme E2 W, ZINC ION
Authors:James, L.C, Kiss, L.
Deposit date:2022-06-14
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Trim-Away ubiquitinates and degrades lysine-less and N-terminally acetylated substrates.
Nat Commun, 14, 2023
8GRQ
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BU of 8grq by Molmil
Cryo-EM structure of BRCA1/BARD1 bound to H2AK127-UbcH5c-Ub nucleosome
Descriptor: BRCA1-associated RING domain protein 1, Breast cancer type 1 susceptibility protein, DNA (147-MER), ...
Authors:Ai, H.S, Zebin, T, Zhiheng, D, Jiakun, T, Liying, Z, Jia-Bin, L, Man, P, Liu, L.
Deposit date:2022-09-02
Release date:2023-04-12
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:Synthetic E2-Ub-nucleosome conjugates for studying nucleosome ubiquitination.
Chem, 2023
8GCY
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BU of 8gcy by Molmil
Co-crystal structure of CBL-B in complex with N-Aryl isoindolin-1-one inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, ...
Authors:Kimani, S, Zeng, H, Dong, A, Li, Y, Santhakumar, V, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-03-03
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:The co-crystal structure of Cbl-b and a small-molecule inhibitor reveals the mechanism of Cbl-b inhibition.
Commun Biol, 6, 2023
7OIM
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BU of 7oim by Molmil
Mouse RNF213, with mixed nucleotides bound
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, E3 ubiquitin-protein ligase RNF213, ...
Authors:Grabarczyk, D, Ahel, J, Clausen, T.
Deposit date:2021-05-11
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (4 Å)
Cite:E3 ubiquitin ligase RNF213 employs a non-canonical zinc finger active site and is allosterically regulated by ATP
To Be Published
7OIK
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BU of 7oik by Molmil
Mouse RNF213:UBE2L3 transthiolation intermediate, chemically stabilized
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, E3 ubiquitin-protein ligase RNF213, MAGNESIUM ION, ...
Authors:Grabarczyk, D, Ahel, J, Clausen, T.
Deposit date:2021-05-11
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:E3 ubiquitin ligase RNF213 employs a non-canonical zinc finger active site and is allosterically regulated by ATP
To Be Published
7LYB
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BU of 7lyb by Molmil
Cryo-EM structure of the human nucleosome core particle in complex with BRCA1-BARD1-UbcH5c
Descriptor: BRCA1-associated RING domain protein 1, DNA (146-MER), DNA (147-MER), ...
Authors:Hu, Q, Botuyan, M.V, Zhao, D, Cui, D, Mer, E, Mer, G.
Deposit date:2021-03-06
Release date:2021-07-28
Last modified:2021-09-01
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Mechanisms of BRCA1-BARD1 nucleosome recognition and ubiquitylation.
Nature, 596, 2021
7B5M
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BU of 7b5m by Molmil
Ubiquitin ligation to F-box protein substrates by SCF-RBR E3-E3 super-assembly: CUL1-RBX1-SKP1-SKP2-CKSHS1-p27~Ub~ARIH1. Transition State 2
Descriptor: Cullin-1, Cyclin-dependent kinase inhibitor 1B, Cyclin-dependent kinases regulatory subunit 1, ...
Authors:Horn-Ghetko, D, Prabu, J.R, Schulman, B.A.
Deposit date:2020-12-05
Release date:2021-02-17
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:Ubiquitin ligation to F-box protein targets by SCF-RBR E3-E3 super-assembly.
Nature, 590, 2021

221051

数据于2024-06-12公开中

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