9FQJ
 
 | | E3 ligase Cbl-b in complex with a carbamate scaffold inhibitor (compound 12) | | 分子名称: | 2-cyclopropyl-6-methyl-~{N}-[3-[(6~{S})-6-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]phenyl]pyrimidine-4-carboxamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | 著者 | Schimpl, M. | | 登録日 | 2024-06-17 | | 公開日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (1.563 Å) | | 主引用文献 | Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor using Generative Models and Structure-Based Drug Design
To be published
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9FQI
 | | E3 ligase Cbl-b in complex with a lactam scaffold inhibitor (compound 7) | | 分子名称: | 8-[3-[(4~{R})-4-methyl-2-oxidanylidene-piperidin-4-yl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | 著者 | Schimpl, M. | | 登録日 | 2024-06-17 | | 公開日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (1.954 Å) | | 主引用文献 | Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor using Generative Models and Structure-Based Drug Design
To be published
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9FQH
 | | E3 ligase Cbl-b in complex with a triazolone core inhibitor (compound 1) | | 分子名称: | 8-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | 著者 | Schimpl, M. | | 登録日 | 2024-06-17 | | 公開日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (1.786 Å) | | 主引用文献 | Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor using Generative Models and Structure-Based Drug Design
To be published
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8T3Y
 | | Structure of Bre1-nucleosome complex - state1 | | 分子名称: | 601 DNA Strand 1, 601 DNA Strand 2, E3 ubiquitin-protein ligase BRE1, ... | | 著者 | Zhao, F, Hicks, C.W, Wolberger, C. | | 登録日 | 2023-06-08 | | 公開日 | 2023-10-18 | | 最終更新日 | 2023-11-22 | | 実験手法 | ELECTRON MICROSCOPY (3.47 Å) | | 主引用文献 | Mechanism of histone H2B monoubiquitination by Bre1.
Nat.Struct.Mol.Biol., 30, 2023
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8T3W
 | | Structure of Bre1-nucleosome complex - state2 | | 分子名称: | 601 DNA strand 1, 601 DNA strand 2, E3 ubiquitin-protein ligase BRE1, ... | | 著者 | Zhao, F, Hicks, C.W, Wolberger, C. | | 登録日 | 2023-06-07 | | 公開日 | 2023-10-18 | | 最終更新日 | 2023-11-22 | | 実験手法 | ELECTRON MICROSCOPY (3.25 Å) | | 主引用文献 | Mechanism of histone H2B monoubiquitination by Bre1.
Nat.Struct.Mol.Biol., 30, 2023
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8T3T
 | | Structure of Bre1-nucleosome complex - state3 | | 分子名称: | 601 DNA strand 1, 601 DNA strand 2, E3 ubiquitin-protein ligase BRE1, ... | | 著者 | Zhao, F, Hicks, C.W, Wolberger, C. | | 登録日 | 2023-06-07 | | 公開日 | 2023-10-18 | | 最終更新日 | 2023-11-22 | | 実験手法 | ELECTRON MICROSCOPY (3.21 Å) | | 主引用文献 | Mechanism of histone H2B monoubiquitination by Bre1.
Nat.Struct.Mol.Biol., 30, 2023
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8QTK
 | | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 31) | | 分子名称: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | 著者 | Schimpl, M. | | 登録日 | 2023-10-12 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.873 Å) | | 主引用文献 | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
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8QTJ
 | | Crystal structure of Cbl-b in complex with an allosteric inhibitor (compound 30) | | 分子名称: | 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, ... | | 著者 | Schimpl, M. | | 登録日 | 2023-10-12 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.523 Å) | | 主引用文献 | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
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8QTH
 | | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 8) | | 分子名称: | 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, ... | | 著者 | Schimpl, M. | | 登録日 | 2023-10-12 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | | 主引用文献 | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
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8QTG
 | | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 9) | | 分子名称: | 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, ... | | 著者 | Schimpl, M. | | 登録日 | 2023-10-12 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.419 Å) | | 主引用文献 | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
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8QNI
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8QNH
 | | Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (WO2020264398 Ex23) | | 分子名称: | 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, ... | | 著者 | Schimpl, M. | | 登録日 | 2023-09-26 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | | 主引用文献 | Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
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8QNG
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8IEJ
 | | RNF20-RNF40/hRad6A-Ub/nucleosome complex | | 分子名称: | DNA (147-MER), E3 ubiquitin-protein ligase BRE1A, E3 ubiquitin-protein ligase BRE1B, ... | | 著者 | Ai, H, Deng, Z, Sun, M, Du, Y, Pan, M, Liu, L. | | 登録日 | 2023-02-15 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-09-20 | | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | | 主引用文献 | Mechanistic insights into nucleosomal H2B monoubiquitylation mediated by yeast Bre1-Rad6 and its human homolog RNF20/RNF40-hRAD6A.
Mol.Cell, 83, 2023
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8IEG
 | | Bre1(mRBD-RING)/Rad6-Ub/nucleosome complex | | 分子名称: | DNA (147-MER), E3 ubiquitin-protein ligase BRE1, Histone H2A type 1-B/E, ... | | 著者 | Ai, H, Deng, Z, Pan, M, Liu, L. | | 登録日 | 2023-02-15 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-09-20 | | 実験手法 | ELECTRON MICROSCOPY (3.44 Å) | | 主引用文献 | Mechanistic insights into nucleosomal H2B monoubiquitylation mediated by yeast Bre1-Rad6 and its human homolog RNF20/RNF40-hRAD6A.
Mol.Cell, 83, 2023
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8GUJ
 | | Bre1-nucleosome complex (Model II) | | 分子名称: | DNA (147-mer), E3 ubiquitin-protein ligase BRE1A, E3 ubiquitin-protein ligase BRE1B, ... | | 著者 | Onishi, S, Sato, K, Hamada, K, Nishizawa, T, Nureki, O, Ogata, K, Sengoku, T. | | 登録日 | 2022-09-12 | | 公開日 | 2023-09-20 | | 最終更新日 | 2024-04-03 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structure of the human Bre1 complex bound to the nucleosome.
Nat Commun, 15, 2024
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8GUI
 | | Bre1-nucleosome complex (Model I) | | 分子名称: | DNA (147-mer), E3 ubiquitin-protein ligase BRE1A, E3 ubiquitin-protein ligase BRE1B, ... | | 著者 | Onishi, S, Hamada, K, Sato, K, Nishizawa, T, Nureki, O, Ogata, K, Sengoku, T. | | 登録日 | 2022-09-12 | | 公開日 | 2023-09-20 | | 最終更新日 | 2024-04-03 | | 実験手法 | ELECTRON MICROSCOPY (2.81 Å) | | 主引用文献 | Structure of the human Bre1 complex bound to the nucleosome.
Nat Commun, 15, 2024
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8GRQ
 | | Cryo-EM structure of BRCA1/BARD1 bound to H2AK127-UbcH5c-Ub nucleosome | | 分子名称: | BRCA1-associated RING domain protein 1, Breast cancer type 1 susceptibility protein, DNA (147-MER), ... | | 著者 | Ai, H.S, Zebin, T, Zhiheng, D, Jiakun, T, Liying, Z, Jia-Bin, L, Man, P, Liu, L. | | 登録日 | 2022-09-02 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.87 Å) | | 主引用文献 | Synthetic E2-Ub-nucleosome conjugates for studying nucleosome ubiquitination.
Chem, 2023
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8GCY
 | | Co-crystal structure of CBL-B in complex with N-Aryl isoindolin-1-one inhibitor | | 分子名称: | 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, ... | | 著者 | Kimani, S, Zeng, H, Dong, A, Li, Y, Santhakumar, V, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | 登録日 | 2023-03-03 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | The co-crystal structure of Cbl-b and a small-molecule inhibitor reveals the mechanism of Cbl-b inhibition.
Commun Biol, 6, 2023
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8AMR
 | | Coiled-coil domain of human TRIM3 | | 分子名称: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, GLYCEROL, Tripartite motif-containing protein 3 | | 著者 | Perez-Borrajero, C, Murciano, B, Hennig, J. | | 登録日 | 2022-08-04 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Structural and biophysical studies of TRIM2 and TRIM3
To Be Published
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8A58
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7ONI
 | | Structure of Neddylated CUL5 C-terminal region-RBX2-ARIH2* | | 分子名称: | Cullin-5, E3 ubiquitin-protein ligase ARIH2, NEDD8, ... | | 著者 | Kostrhon, S.P, prabu, J.R, Schulman, B.A. | | 登録日 | 2021-05-25 | | 公開日 | 2021-09-15 | | 最終更新日 | 2021-10-06 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | CUL5-ARIH2 E3-E3 ubiquitin ligase structure reveals cullin-specific NEDD8 activation.
Nat.Chem.Biol., 17, 2021
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7OIM
 | | Mouse RNF213, with mixed nucleotides bound | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, E3 ubiquitin-protein ligase RNF213, ... | | 著者 | Grabarczyk, D, Ahel, J, Clausen, T. | | 登録日 | 2021-05-11 | | 公開日 | 2022-06-01 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | E3 ubiquitin ligase RNF213 employs a non-canonical zinc finger active site and is allosterically regulated by ATP
To Be Published
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7OIK
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7OD1
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