6YJF
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![BU of 6yjf by Molmil](/molmil-images/mine/6yjf) | Plasmoodium vivax phosphoglycerate kinase bound to nitrofuran inhibitor from PEGSmear at pH 6.5 | 分子名称: | (2~{S})-2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro-1~{H}-[1]benzothiolo[2,3-d]pyrimidin-4-one, GLYCEROL, Phosphoglycerate kinase | 著者 | Hyvonen, M, Brear, P, Blaszczyk, B.K. | 登録日 | 2020-04-03 | 公開日 | 2021-04-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Phosphoglycerate Kinase as a potential target for antimalarial therapy to be published
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1BTK
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9EZ8
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![BU of 9ez8 by Molmil](/molmil-images/mine/9ez8) | Cryo-EM structure of the icosahedral lumazine synthase from Vicia faba. | 分子名称: | 6,7-dimethyl-8-ribityllumazine synthase | 著者 | Chee, M, Trapani, S, Hoh, F, Lai Kee Him, J, Yvon, M, Blanc, S, Bron, P. | 登録日 | 2024-04-11 | 公開日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Cryo-EM structure of the icosahedral lumazine synthase from Vicia faba. To Be Published
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4UQO
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![BU of 4uqo by Molmil](/molmil-images/mine/4uqo) | RADA C-TERMINAL ATPASE DOMAIN FROM PYROCOCCUS FURIOSUS BOUND TO ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, 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 | 2014-06-24 | 公開日 | 2015-01-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.88 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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5J4L
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![BU of 5j4l by Molmil](/molmil-images/mine/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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5JEE
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![BU of 5jee by Molmil](/molmil-images/mine/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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5JFG
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![BU of 5jfg by Molmil](/molmil-images/mine/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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6Q62
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7ZWG
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![BU of 7zwg by Molmil](/molmil-images/mine/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
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![BU of 7zwe by Molmil](/molmil-images/mine/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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5CLP
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![BU of 5clp by Molmil](/molmil-images/mine/5clp) | Crystal Structure of CK2alpha with 3,4-dichlorophenethylamine bound | 分子名称: | 2-(3,4-dichlorophenyl)ethanamine, ACETATE ION, Casein kinase II subunit alpha | 著者 | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | 登録日 | 2015-07-16 | 公開日 | 2016-07-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.684 Å) | 主引用文献 | Specific inhibition of CK2 alpha from an anchor outside the active site. Chem Sci, 7, 2016
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7ZY0
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![BU of 7zy0 by Molmil](/molmil-images/mine/7zy0) | Crystal structure of compound 7 bound to CK2alpha | 分子名称: | 2-(5-bromanyl-1~{H}-indol-3-yl)ethanenitrile, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha | 著者 | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | 登録日 | 2022-05-23 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.44 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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7ZY8
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![BU of 7zy8 by Molmil](/molmil-images/mine/7zy8) | Crystal structure of compound 2 bound to CK2alpha | 分子名称: | 3-[3,5-bis(chloranyl)phenyl]propan-1-amine, ACETATE ION, Casein kinase II subunit alpha, ... | 著者 | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | 登録日 | 2022-05-24 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.85 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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7ZY5
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![BU of 7zy5 by Molmil](/molmil-images/mine/7zy5) | Crystal structure of compound 2 bound to CK2alpha | 分子名称: | 1-NAPHTHOL, ACETATE ION, Casein kinase II subunit alpha | 著者 | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | 登録日 | 2022-05-23 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.82 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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7ZY2
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![BU of 7zy2 by Molmil](/molmil-images/mine/7zy2) | Crystal structure of compound 7 bound to CK2alpha | 分子名称: | 5-bromanyl-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | 登録日 | 2022-05-23 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.51 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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7OBI
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![BU of 7obi by Molmil](/molmil-images/mine/7obi) | Consensus tetratricopeptide repeat protein type RV4 | 分子名称: | CTPR-rv4, PHOSPHATE ION | 著者 | Eapen, R.S, Perez-Riba, A, Fischer, G, Itzhaki, L.S, Hyvonen, M. | 登録日 | 2021-04-22 | 公開日 | 2022-02-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Unraveling the Mechanics of a Repeat-Protein Nanospring: From Folding of Individual Repeats to Fluctuations of the Superhelix. Acs Nano, 16, 2022
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7ZYO
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![BU of 7zyo by Molmil](/molmil-images/mine/7zyo) | Compound 9 Bound to CK2alpha | 分子名称: | 5-bromanyl-6-chloranyl-3-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Brear, P, Hyvonen, M. | 登録日 | 2022-05-25 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.58 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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7ZYD
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![BU of 7zyd by Molmil](/molmil-images/mine/7zyd) | Structure of Compound 6 Bound to CK2alpha | 分子名称: | 5-bromanyl-6-chloranyl-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Brear, P, Hyvonen, M. | 登録日 | 2022-05-24 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.404 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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7ZYR
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![BU of 7zyr by Molmil](/molmil-images/mine/7zyr) | Compound 20 Bound to CK2alpha | 分子名称: | 5-bromanyl-6-chloranyl-3-(1~{H}-pyrrol-2-ylmethyl)-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Brear, P, Hyvonen, M. | 登録日 | 2022-05-25 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.85 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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7ZYK
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![BU of 7zyk by Molmil](/molmil-images/mine/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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7Z8O
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![BU of 7z8o by Molmil](/molmil-images/mine/7z8o) | Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide | 分子名称: | 2,4,6-tris(chloromethyl)-1,3,5-triazine, GLYCEROL, Spike protein S1, ... | 著者 | Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M. | 登録日 | 2022-03-18 | 公開日 | 2023-06-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | 主引用文献 | Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2. Nat Commun, 14, 2023
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7NUF
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![BU of 7nuf by Molmil](/molmil-images/mine/7nuf) | Vaccinia virus protein 018 in complex with STAT1 | 分子名称: | ACETYL GROUP, SULFATE ION, Signal transducer and activator of transcription 1-alpha/beta, ... | 著者 | Pantelejevs, T, Talbot-Cooper, C, Smith, G.L, Hyvonen, M. | 登録日 | 2021-03-12 | 公開日 | 2021-07-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.0004015 Å) | 主引用文献 | Poxviruses and paramyxoviruses use a conserved mechanism of STAT1 antagonism to inhibit interferon signaling. Cell Host Microbe, 30, 2022
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5UM2
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6XTW
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![BU of 6xtw by Molmil](/molmil-images/mine/6xtw) | HumRadA33F in complex with peptidic inhibitor 6 | 分子名称: | DNA repair and recombination protein RadA, SULFATE ION, ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide | 著者 | Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | 登録日 | 2020-01-16 | 公開日 | 2021-01-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death. Cell Chem Biol, 28, 2021
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8AAA
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![BU of 8aaa by Molmil](/molmil-images/mine/8aaa) | Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide | 分子名称: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, Spike protein S1, Stapled peptide | 著者 | Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M. | 登録日 | 2022-06-30 | 公開日 | 2023-06-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2. Nat Commun, 14, 2023
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