1BTK
 
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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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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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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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5FPK
 | | MONOMERIC RADA IN COMPLEX WITH FATA TETRAPEPTIDE | | 分子名称: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, FHTG PEPTIDE, PHOSPHATE ION | | 著者 | Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M. | | 登録日 | 2015-12-01 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.343 Å) | | 主引用文献 | Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction.
FEBS Lett., 590, 2016
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5FOT
 | | HUMANISED MONOMERIC RADA IN COMPLEX WITH FHTU TETRAPEPTIDE | | 分子名称: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, FHTU PEPTIDE, PHOSPHATE ION | | 著者 | Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M. | | 登録日 | 2015-11-26 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.189 Å) | | 主引用文献 | Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction.
FEBS Lett., 590, 2016
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5FOX
 | | HUMANISED MONOMERIC RADA IN COMPLEX WITH FHAA TETRAPEPTIDE | | 分子名称: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, FHAA PEPTIDE, GLYCEROL, ... | | 著者 | Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M. | | 登録日 | 2015-11-26 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction.
FEBS Lett., 590, 2016
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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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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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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 | 2023-03-29 | | 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
 | | 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
 | | 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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6TV3
 | | HumRadA1 in complex with 3-amino-2-naphthoic acid | | 分子名称: | 3-azanylnaphthalene-2-carboxylic acid, DNA repair and recombination protein RadA, GLYCEROL, ... | | 著者 | Marsh, M.E, 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 (1.5 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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7Z39
 | | Structure of Belumosudil bound to CK2alpha | | 分子名称: | 2-[3-[4-(1~{H}-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-~{N}-propan-2-yl-ethanamide, ACETATE ION, Casein kinase II subunit alpha, ... | | 著者 | Brear, P, Hyvonen, M. | | 登録日 | 2022-03-01 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal structure of the Rho-associated coiled-coil kinase 2 inhibitor belumosudil bound to CK2 alpha.
Acta Crystallogr.,Sect.F, 78, 2022
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8C3N
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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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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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8BYJ
 | | 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, 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 | 2022-12-13 | | 公開日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.07 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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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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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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2W8S
 | | CRYSTAL STRUCTURE OF A catalytically promiscuous PHOSPHONATE MONOESTER HYDROLASE FROM Burkholderia caryophylli | | 分子名称: | FE (III) ION, GLYCEROL, PHOSPHONATE MONOESTER HYDROLASE, ... | | 著者 | Jonas, S, van Loo, B, Hyvonen, M, Hollfelder, F. | | 登録日 | 2009-01-19 | | 公開日 | 2010-02-23 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | An Efficient, Multiply Promiscuous Hydrolase in the Alkaline Phosphatase Superfamily.
Proc.Natl.Acad.Sci.USA, 107, 2010
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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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6HQU
 | | Humanised RadA mutant HumRadA22 in complex with a recombined BRC repeat 8-2 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Breast cancer type 2 susceptibility, DNA repair and recombination protein RadA, ... | | 著者 | Pantelejevs, T, Lindenburg, L, Hyvonen, M, Hollfelder, F. | | 登録日 | 2018-09-25 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Improved RAD51 binders through motif shuffling based on the modularity of BRC repeats.
Proc.Natl.Acad.Sci.USA, 118, 2021
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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 | 2023-03-29 | | 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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