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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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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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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7ZWG
| The Crystal structure of RO4493940 bound to CK2alpha | 分子名称: | (5~{Z})-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | 著者 | Brear, P, Hyvonen, M. | 登録日 | 2022-05-19 | 公開日 | 2023-05-31 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors. Nat.Chem.Biol., 20, 2024
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7ZWE
| The Crystal structure of GW8695 bound to CK2alpha | 分子名称: | 7-(1~{H}-indol-2-yl)-5-methyl-~{N}-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine, Casein kinase II subunit alpha | 著者 | Brear, P, Hyvonen, M. | 登録日 | 2022-05-19 | 公開日 | 2023-05-31 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors. Nat.Chem.Biol., 20, 2024
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5JFG
| Structure of humanised RadA-mutant humRadA22F in complex with peptide FHTA | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, 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 | 2016-04-19 | 公開日 | 2016-10-26 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Humanisation of RadA from Pyrococcus furiosus To Be Published
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7QV8
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7A4Q
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8C3J
| Stapled peptide SP2 in complex with humanised RadA mutant HumRadA22 | 分子名称: | 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid, Breast cancer type 2 susceptibility protein, DNA repair and recombination protein RadA | 著者 | Pantelejevs, T, Hyvonen, M. | 登録日 | 2022-12-26 | 公開日 | 2023-11-29 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | 主引用文献 | A recombinant approach for stapled peptide discovery yields inhibitors of the RAD51 recombinase. Chem Sci, 14, 2023
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3P2Z
| Polo-like kinase I Polo-box domain in complex with PLHSpTA phosphopeptide from PBIP1 | 分子名称: | GLYCEROL, Serine/threonine-protein kinase PLK1, phosphopeptide | 著者 | Sledz, P, Stubbs, C.J, Hyvonen, M, Abell, C. | 登録日 | 2010-10-04 | 公開日 | 2011-04-27 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1 Angew.Chem.Int.Ed.Engl., 50, 2011
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3P36
| Polo-like kinase I Polo-box domain in complex with DPPLHSpTA phosphopeptide from PBIP1 | 分子名称: | GLYCEROL, PHOSPHATE ION, Serine/threonine-protein kinase PLK1, ... | 著者 | Sledz, P, Stubbs, C.J, Hyvonen, M, Abell, C. | 登録日 | 2010-10-04 | 公開日 | 2011-04-27 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1 Angew.Chem.Int.Ed.Engl., 50, 2011
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3P2W
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3P34
| Polo-like kinase I Polo-box domain in complex with MQSpTPL phosphopeptide | 分子名称: | GLYCEROL, SULFATE ION, Serine/threonine-protein kinase PLK1, ... | 著者 | Sledz, P, Hyvonen, M, Abell, C. | 登録日 | 2010-10-04 | 公開日 | 2011-04-27 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1 Angew.Chem.Int.Ed.Engl., 50, 2011
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3P35
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3P37
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8BFW
| The structures of Ace2 in complex with bicyclic peptide inhibitor | 分子名称: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-VAL-ARG-SER-HIS-CYS-SER-SER-LEU-LEU-PRO-ARG-ILE-HIS-CYS-ALA-NH2, Processed angiotensin-converting enzyme 2 | 著者 | Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M. | 登録日 | 2022-10-27 | 公開日 | 2023-10-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2. J.Med.Chem., 66, 2023
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8BN1
| The structures of Ace2 in complex with bicyclic peptide inhibitor | 分子名称: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-VAL-ARG-SER-4PH-CYS-SER-SER-LEU-LEU-PRO-ARG-ILE-HIS-CYS-ALA-NH2, Processed angiotensin-converting enzyme 2, ... | 著者 | Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M. | 登録日 | 2022-11-11 | 公開日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2. J.Med.Chem., 66, 2023
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8B9P
| ACE2 in complex with bicyclic peptide inhibitor | 分子名称: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-GLY-ARG-GLN-PHE-CYS-HIS-THR-LEU-MET-PRO-ARG-HIS-LEU-CYS-ALA-NH2, Processed angiotensin-converting enzyme 2 | 著者 | Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M. | 登録日 | 2022-10-06 | 公開日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2. J.Med.Chem., 66, 2023
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3Q1I
| Polo-like kinase I Polo-box domain in complex with FMPPPMSpSM phosphopeptide from TCERG1 | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... | 著者 | Sledz, P, Hyvonen, M, Abell, C. | 登録日 | 2010-12-17 | 公開日 | 2011-04-27 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1 Angew.Chem.Int.Ed.Engl., 50, 2011
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6GIH
| Crystal Structure of CK2alpha with CAM187 bound | 分子名称: | ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-5-(1~{H}-indol-4-yl)phenyl]methanamine | 著者 | Brear, P, Iegre, J, North, A, De Fusco, C, Georgiou, K, Lubin, A, Carro, L, Sore, H, Hyvonen, M, Spring, D. | 登録日 | 2018-05-11 | 公開日 | 2018-05-23 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Novel non-ATP competitive small molecules targeting the CK2 alpha / beta interface. Bioorg. Med. Chem., 26, 2018
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4A6X
| RadA C-terminal ATPase domain from Pyrococcus furiosus bound to ATP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, DNA REPAIR AND RECOMBINATION PROTEIN RADA, MAGNESIUM ION | 著者 | Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2011-11-10 | 公開日 | 2012-11-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.548 Å) | 主引用文献 | ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides FEBS Open Bio, 6, 2016
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4A6P
| RadA C-terminal ATPase domain from Pyrococcus furiosus | 分子名称: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION | 著者 | Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2011-11-08 | 公開日 | 2012-11-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.498 Å) | 主引用文献 | ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides FEBS Open Bio, 6, 2016
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4B2P
| RadA C-terminal ATPase domain from Pyrococcus furiosus bound to GTP | 分子名称: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2012-07-17 | 公開日 | 2013-07-24 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides FEBS Open Bio, 6, 2016
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6TUU
| Leishmania infantum Rad51 surrogate LiRadA10 in complex with 5,6,7,8-tetrahydro-2-naphthoic acid | 分子名称: | 5,6,7,8-tetrahydronaphthalene-2-carboxylic acid, CHLORIDE ION, DNA repair and recombination protein RadA, ... | 著者 | Pantelejevs, T, Hyvonen, M. | 登録日 | 2020-01-08 | 公開日 | 2021-01-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Development of dedicated crystallographic systems for structure-guided drug discovery To Be Published
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7ZYK
| Compound 9 Bound to CK2alpha | 分子名称: | 2-(5-bromanyl-6-chloranyl-1~{H}-indol-3-yl)ethanenitrile, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Brear, P, Hyvonen, M. | 登録日 | 2022-05-25 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.31 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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