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PDB: 304 件
5FOU
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BU of 5fou by Molmil
HUMANISED MONOMERIC RADA IN COMPLEX WITH FHPA TETRAPEPTIDE
分子名称: DNA REPAIR AND RECOMBINATION PROTEIN RADA, FHPA 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 (1.5 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
7ZWG
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BU of 7zwg by Molmil
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
7ZWE
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BU of 7zwe by Molmil
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
6YPN
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BU of 6ypn by Molmil
Crystal Structure of CK2alpha with 2 molecules of ADP bound
分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ...
著者Brear, P, Hyvonen, M.
登録日2020-04-16
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
5JFG
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BU of 5jfg by Molmil
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
1LR7
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BU of 1lr7 by Molmil
Crystal structure of Fs1, the heparin-binding domain of follistatin, complexed with the heparin analogue sucrose octasulphate (SOS)
分子名称: SULFATE ION, follistatin
著者Innis, C.A, Hyvonen, M.
登録日2002-05-15
公開日2003-07-29
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structures of the Heparan Sulfate-binding Domain of Follistatin: Insights into ligand binding.
J.Biol.Chem., 278, 2003
6GIH
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BU of 6gih by Molmil
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
6Q38
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BU of 6q38 by Molmil
The Crystal structure of CK2a bound to P1-C4
分子名称: 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid, BENZOIC ACID, Casein kinase II subunit alpha, ...
著者Brear, P, Iegre, J, Baker, D, Tan, Y, Sore, H, Donovan, D, Spring, D, Chandra, V, Hyvonen, M.
登録日2018-12-03
公開日2019-04-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction.
Chem Sci, 10, 2019
6Y3A
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BU of 6y3a by Molmil
Structure of Plasmodium vivax phosphoglycerate kinase
分子名称: BROMIDE ION, POTASSIUM ION, Phosphoglycerate kinase
著者Blaszczyk, B.K, Hyvonen, M.
登録日2020-02-17
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Phosphoglycerate Kinase as a potential target for antimalarial therapy
to be published
4CYR
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BU of 4cyr by Molmil
G4 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa
分子名称: ARYLSULFATASE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F.
登録日2014-04-14
公開日2015-04-29
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6YPH
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BU of 6yph by Molmil
Crystal Structure of CK2alpha with Compound 2 bound
分子名称: 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha
著者Brear, P, Hyvonen, M.
登録日2020-04-16
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
4CYS
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BU of 4cys by Molmil
G6 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa, in complex with Phenylphosphonic acid
分子名称: AMMONIUM ION, ARYLSULFATASE, CALCIUM ION, ...
著者Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F.
登録日2014-04-14
公開日2015-04-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4CXS
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BU of 4cxs by Molmil
G4 mutant of PAS, arylsulfatase from Pseudomonas aeruginosa, in complex with Phenylphosphonic acid
分子名称: ARYLSULFATASE, CALCIUM ION, SULFATE ION, ...
著者Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F.
登録日2014-04-08
公開日2015-05-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4B3C
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BU of 4b3c by Molmil
Humanised monomeric RadA in complex with 5-hydroxy indole
分子名称: 1H-indol-5-ol, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION
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2012-07-23
公開日2013-02-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Using a Fragment-Based Approach to Target Protein-Protein Interactions.
Chembiochem, 14, 2013
4B32
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BU of 4b32 by Molmil
Humanised monomeric RadA in complex with napht-1-ol
分子名称: DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION, naphthalen-2-ol
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2012-07-20
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
8C3N
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BU of 8c3n by Molmil
Stapled peptide SP30 in complex with humanised RadA mutant HumRadA22
分子名称: 4,6-diethylpyrimidin-2-amine, ADENOSINE-5'-DIPHOSPHATE, Breast cancer type 2 susceptibility protein, ...
著者Pantelejevs, T, Hyvonen, M.
登録日2022-12-27
公開日2023-03-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献A recombinant approach for stapled peptide discovery yields inhibitors of the RAD51 recombinase.
Chem Sci, 14, 2023
4B33
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BU of 4b33 by Molmil
Humanised monomeric RadA in complex with napht-2-ol
分子名称: 1-NAPHTHOL, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION
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2012-07-20
公開日2013-02-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Using a Fragment-Based Approach to Target Protein-Protein Interactions.
Chembiochem, 14, 2013
4B2L
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BU of 4b2l by Molmil
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
8C3J
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BU of 8c3j by Molmil
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
4A6P
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BU of 4a6p by Molmil
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
4B3D
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BU of 4b3d by Molmil
Humanised monomeric RadA in complex with 5-methyl indole
分子名称: 5-METHYL INDOLE, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION
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2012-07-23
公開日2013-02-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.589 Å)
主引用文献Using a Fragment-Based Approach to Target Protein-Protein Interactions.
Chembiochem, 14, 2013
4B2I
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BU of 4b2i by Molmil
Humanised monomeric RadA in complex with indazole
分子名称: 1H-indazole, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION
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 (1.3 Å)
主引用文献Using a Fragment-Based Approach to Target Protein-Protein Interactions.
Chembiochem, 14, 2013
4B35
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Humanised monomeric RadA in complex with 4-methylester indole
分子名称: DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION, methyl 1H-indole-4-carboxylate
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2012-07-20
公開日2013-02-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Using a Fragment-Based Approach to Target Protein-Protein Interactions.
Chembiochem, 14, 2013
4B3B
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BU of 4b3b by Molmil
Humanised monomeric RadA in complex with FHTA tetrapeptide
分子名称: DNA REPAIR AND RECOMBINATION PROTEIN RADA, FHTA TETRAPEPTIDE, PHOSPHATE ION
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2012-07-23
公開日2013-02-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.193 Å)
主引用文献Using a Fragment-Based Approach to Target Protein-Protein Interactions.
Chembiochem, 14, 2013
4B2P
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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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