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PDB: 304 件
5MOE
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Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound
分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ...
著者Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
登録日2016-12-14
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5AFG
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Structure of the Stapled Peptide Bound to Mdm2
分子名称: 1,8-DIETHYL-1,8-DIHYDRODIBENZO[3,4:7,8][1,2,3]TRIAZOLO[4',5':5,6]CYCLOOCTA[1,2-D][1,2,3]TRIAZOLE, E3 UBIQUITIN-PROTEIN LIGASE MDM2, STAPLED PEPTIDE
著者Lau, Y.H, Wu, Y, Rossmann, M, de Andrade, P, Tan, Y.S, McKenzie, G.J, Venkitaraman, A.R, Hyvonen, M, Spring, D.R.
登録日2015-01-22
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Double Strain-Promoted Macrocyclization for the Rapid Selection of Cell-Active Stapled Peptides.
Angew.Chem.Int.Ed.Engl., 54, 2015
5MP8
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BU of 5mp8 by Molmil
Crystal Structure of CK2alpha with ZT0432 bound
分子名称: (3-chloranyl-4-phenyl-phenyl)methyl-methyl-azanium, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
著者Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
登録日2016-12-16
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5HLZ
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BU of 5hlz by Molmil
Structure of Pro-Activin A Complex at 2.85 A resolution
分子名称: Inhibin beta A chain
著者Wang, X, Fischer, G, Hyvonen, M.
登録日2016-01-15
公開日2016-07-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.851 Å)
主引用文献Structure and activation of pro-activin A.
Nat Commun, 7, 2016
2VQR
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BU of 2vqr by Molmil
Crystal structure of a phosphonate monoester hydrolase from rhizobium leguminosarum: a new member of the alkaline phosphatase superfamily
分子名称: ACETATE ION, CALCIUM ION, MANGANESE (II) ION, ...
著者Jonas, S, Hyvonen, M, Hollfelder, F.
登録日2008-03-18
公開日2008-09-30
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献A New Member of the Alkaline Phosphatase Superfamily with a Formylglycine Nucleophile: Structural and Kinetic Characterisation of a Phosphonate Monoester Hydrolase/Phosphodiesterase from Rhizobium Leguminosarum.
J.Mol.Biol., 384, 2008
4CXU
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BU of 4cxu by Molmil
G4 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa, in complex with 3-Br-Phenolphenylphosphonate
分子名称: 3-bromophenyl hydrogen (S)-phenylphosphonate, 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2014-04-08
公開日2015-04-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.03 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
4B34
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BU of 4b34 by Molmil
Humanised monomeric RadA in complex with 2-amino benzothiazole
分子名称: 1,3-benzothiazol-2-amine, 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 (1.55 Å)
主引用文献Using a Fragment-Based Approach to Target Protein-Protein Interactions.
Chembiochem, 14, 2013
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
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
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
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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BU of 4b35 by Molmil
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
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
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
4CXK
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BU of 4cxk by Molmil
G9 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2014-04-07
公開日2015-04-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.86 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
4D6P
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BU of 4d6p by Molmil
RADA C-TERMINAL ATPASE DOMAIN FROM PYROCOCCUS FURIOSUS BOUND TO AMPPNP
分子名称: DNA REPAIR AND RECOMBINATION PROTEIN RADA, GLYCEROL, MAGNESIUM ION, ...
著者Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2014-11-13
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.482 Å)
主引用文献ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides
FEBS Open Bio, 6, 2016
3P35
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BU of 3p35 by Molmil
Polo-like kinase I Polo-box domain in complex with MQSpSPL phosphopeptide
分子名称: GLYCEROL, Serine/threonine-protein kinase PLK1, phosphopeptide
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 (2.09 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
3P37
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BU of 3p37 by Molmil
Polo-like kinase I Polo-box domain in complex with FDPPLHSpTA phosphopeptide from PBIP1
分子名称: GLYCEROL, Serine/threonine-protein kinase PLK1, phosphopeptide
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 (2.38 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
7Z39
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BU of 7z39 by Molmil
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
5MOV
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BU of 5mov by Molmil
Crystal structure of Ck2alpha with ZT0633 bound
分子名称: 4'-HYDROXYCINNAMIC ACID, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
登録日2016-12-14
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
6YPG
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BU of 6ypg by Molmil
Crystal Structure of CK2alpha with Compound 2 bound to second crystal form
分子名称: 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid, ACETATE ION, 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 (1.51 Å)
主引用文献Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020

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