7C8E
| Crystal Structure of 14-3-3 epsilon with 9J10 peptide | 分子名称: | 14-3-3 protein epsilon, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 9J10 | 著者 | Mathivanan, S, Sudhakar, S, Bairy, S, Kamariah, N, Venkitaraman, A. | 登録日 | 2020-05-30 | 公開日 | 2021-06-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.16 Å) | 主引用文献 | Target identification for small-molecule discovery in the FOXO3a tumor-suppressor pathway using a biodiverse peptide library. Cell Chem Biol, 28, 2021
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4B2L
| Humanised monomeric RadA in complex with L-methylester tryptophan | 分子名称: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION, methyl L-tryptophanate | 著者 | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | 登録日 | 2012-07-16 | 公開日 | 2013-02-06 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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5NP7
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1N0W
| Crystal structure of a RAD51-BRCA2 BRC repeat complex | 分子名称: | 1,2-ETHANEDIOL, ARTIFICIAL GLY-SER-MSE-GLY PEPTIDE, Breast cancer type 2 susceptibility protein, ... | 著者 | Pellegrini, L, Yu, D.S, Lo, T, Anand, S, Lee, M, Blundell, T.L, Venkitaraman, A.R. | 登録日 | 2002-10-15 | 公開日 | 2002-11-27 | 最終更新日 | 2020-01-22 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Insights into DNA recombination from the structure of a RAD51-BRCA2 complex Nature, 420, 2002
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5KDD
| Apo-structure of humanised RadA-mutant humRadA22 | 分子名称: | DNA repair and recombination protein RadA, SULFATE ION | 著者 | Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2016-06-08 | 公開日 | 2016-10-19 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51. J.Mol.Biol., 428, 2016
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5L8V
| Apo-structure of humanised RadA-mutant humRadA4 | 分子名称: | DNA repair and recombination protein RadA, PHOSPHATE ION | 著者 | Marsh, M, Fischer, G, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2016-06-08 | 公開日 | 2016-10-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51. J.Mol.Biol., 428, 2016
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5LBI
| Apo-structure of humanised RadA-mutant humRadA3 | 分子名称: | CALCIUM ION, DNA repair and recombination protein RadA | 著者 | Marsh, M, Fischer, G, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2016-06-16 | 公開日 | 2016-10-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51. J.Mol.Biol., 428, 2016
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5LB4
| Apo-structure of humanised RadA-mutant humRadA14 | 分子名称: | DNA repair and recombination protein RadA | 著者 | Marsh, M, Fischer, G, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2016-06-15 | 公開日 | 2016-10-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51. J.Mol.Biol., 428, 2016
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5LB2
| Apo-structure of humanised RadA-mutant humRadA2 | 分子名称: | DNA repair and recombination protein RadA | 著者 | Marsh, M, Fischer, G, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2016-06-15 | 公開日 | 2016-10-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51. J.Mol.Biol., 428, 2016
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8AEC
| Structure of Compound 17 bound to CK2alpha | 分子名称: | 2-(5-bromanyl-6-chloranyl-1H-indazol-3-yl)ethanenitrile, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Brear, P, De Fusco, C, Atkinson, E, Iegre, I, Francis, N, Venkitaraman, A, Spring, D, Hyvonen, M. | 登録日 | 2022-07-12 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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5J4K
| Structure of humanised RadA-mutant humRadA22F in complex with 1-Indane-6-carboxylic acid | 分子名称: | 2,3-dihydro-1H-indene-2-carboxylic acid, CALCIUM ION, DNA repair and recombination protein RadA, ... | 著者 | Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2016-04-01 | 公開日 | 2016-10-26 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.346 Å) | 主引用文献 | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51. J.Mol.Biol., 428, 2016
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5JEC
| Apo-structure of humanised RadA-mutant humRadA33F | 分子名称: | CHLORIDE ION, DNA repair and recombination protein RadA, SULFATE ION | 著者 | Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2016-04-18 | 公開日 | 2016-10-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51. J.Mol.Biol., 428, 2016
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5J4H
| Structure of humanised RadA-mutant humRadA22F in complex with indole-6-carboxylic acid | 分子名称: | 1H-indole-6-carboxylic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ... | 著者 | Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2016-04-01 | 公開日 | 2016-10-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.374 Å) | 主引用文献 | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51. J.Mol.Biol., 428, 2016
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8AE7
| The strucuture of Compound 15 bound to CK2alpha | 分子名称: | 2-[5,6-bis(bromanyl)-1H-indazol-3-yl]ethanenitrile, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Brear, P, De Fusco, C, Atkinson, E, Frances, N, Iegre, J, Venkitaraman, A, Hyvonen, M, Spring, D. | 登録日 | 2022-07-12 | 公開日 | 2023-03-29 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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5JED
| Apo-structure of humanised RadA-mutant humRadA28 | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | 著者 | Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2016-04-18 | 公開日 | 2016-10-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.332 Å) | 主引用文献 | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51. J.Mol.Biol., 428, 2016
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5JEE
| Apo-structure of humanised RadA-mutant humRadA26F | 分子名称: | CALCIUM ION, DNA repair and recombination protein RadA | 著者 | Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2016-04-18 | 公開日 | 2016-10-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51. J.Mol.Biol., 428, 2016
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5J4L
| Apo-structure of humanised RadA-mutant humRadA22F | 分子名称: | CHLORIDE ION, DNA repair and recombination protein RadA | 著者 | Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2016-04-01 | 公開日 | 2016-10-19 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51. J.Mol.Biol., 428, 2016
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8C1M
| Aurora A kinase in complex with TPX2-inhibitor 2 | 分子名称: | 3-oxidanyl-5-[4-(trifluoromethyloxy)phenyl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2022-12-20 | 公開日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
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8C1E
| Aurora A kinase in complex with TPX2-inhibitor 9 | 分子名称: | 4-(4-chloranyl-3-cyano-phenyl)-7-methyl-1~{H}-indole-6-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2022-12-20 | 公開日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.798 Å) | 主引用文献 | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
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8C1I
| Aurora A kinase in complex with TPX2-inhibitor 10 | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2022-12-20 | 公開日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
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8C1F
| Aurora A kinase in complex with TPX2-inhibitor 6 | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2022-12-20 | 公開日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.924 Å) | 主引用文献 | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
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8C1K
| Aurora A kinase in complex with TPX2-inhibitor CAM2602 | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2022-12-20 | 公開日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
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8C1G
| Aurora A kinase in complex with TPX2-inhibitor 7 | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2022-12-20 | 公開日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
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8C14
| Aurora A kinase in complex with TPX2-inhibitor 9 | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-cyano-phenyl)-1~{H}-indole-6-carboxylic acid, ACETATE ION, ... | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2022-12-20 | 公開日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
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8C1D
| Aurora A kinase in complex with TPX2-inhibitor 9 | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid, ACETATE ION, ... | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2022-12-20 | 公開日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.115 Å) | 主引用文献 | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
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