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PDB: 303 件
5DR2
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BU of 5dr2 by Molmil
Aurora A Kinase in Complex with AA30 and ATP in Space Group P6122
分子名称: 2-(3-bromophenyl)quinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ...
著者Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
登録日2015-09-15
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
5DT4
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BU of 5dt4 by Molmil
Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122
分子名称: 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ...
著者Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
登録日2015-09-17
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
5DNR
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BU of 5dnr by Molmil
Aurora A Kinase in complex with ATP in space group P41212
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ...
著者Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.
登録日2015-09-10
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
6YPJ
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BU of 6ypj by Molmil
Crystal Structure of CK2alpha with Compound 1 bound
分子名称: 4-[(4-phenyl-1,3-thiazol-2-yl)amino]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 (1.64 Å)
主引用文献Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
5MOE
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BU of 5moe by Molmil
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
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
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
6YPK
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BU of 6ypk by Molmil
Crystal Structure of CK2alpha with GTP bound
分子名称: Casein kinase II subunit alpha, GUANOSINE-5'-DIPHOSPHATE
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 (1.79 Å)
主引用文献Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
5HLY
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BU of 5hly by Molmil
Structure of Pro-Activin A Precursor at 2.3 A Resolution
分子名称: CHLORIDE ION, 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 (2.302 Å)
主引用文献Structure and activation of pro-activin A.
Nat Commun, 7, 2016
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
5MOT
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BU of 5mot by Molmil
Crystal structure of CK2alpha with ZT0627 bound
分子名称: 4-HYDROXYBENZAMIDE, ACETATE ION, 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 (2.09 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
5CLP
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BU of 5clp by Molmil
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
5MOH
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BU of 5moh by Molmil
Crystal structure of CK2alpha with ZT0583 bound.
分子名称: 2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid, ACETATE ION, 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 (1.38 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
5CU2
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BU of 5cu2 by Molmil
Crystal structure of CK2alpha with 2-hydroxy-5-methylbenzoic acid and (methyl 4-((3-(3-chloro-4-(phenyl)benzylamino)propyl)amino)-4-oxobutanoat bound
分子名称: 2-hydroxy-5-methylbenzoic acid, ACETATE ION, Casein kinase II subunit alpha, ...
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-24
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.705 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
5CX9
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BU of 5cx9 by Molmil
Crystal structure of CK2alpha with (methyl 4-((3-(3-chloro-4-(phenyl)benzylamino)propyl)amino)-4-oxobutanoate bound
分子名称: ACETATE ION, Casein kinase II subunit alpha, PHOSPHATE ION, ...
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-28
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.732 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
5CS6
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BU of 5cs6 by Molmil
Crystal Structure of CK2alpha with Compound 3 bound
分子名称: 1-(3-chloro-4-propoxyphenyl)methanamine, ACETATE ION, Casein kinase II subunit alpha, ...
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-23
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CU3
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BU of 5cu3 by Molmil
Crystal structure of CK2alpha bound to CAM4066
分子名称: ACETATE ION, Casein kinase II subunit alpha, DIMETHYL SULFOXIDE, ...
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-24
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.787 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
6FVG
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BU of 6fvg by Molmil
The Structure of CK2alpha with CCh507 bound
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate
著者Brear, P, Prudent, R, Laudet, B, Filhol, O, Cochet, C, Sautel, C, Moucadel, V, Bestgen, B, Engel, M, Ettaoussi, M, Lomberget, T, Le Borgne, M, Kufareva, I, Abagyan, R, Hyvonen, M.
登録日2018-03-02
公開日2019-06-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors.
Sci Rep, 9, 2019
6FVF
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BU of 6fvf by Molmil
The Structure of CK2alpha with CCh503 bound
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 5-fluoranyl-2-methoxy-1~{H}-indole-3-carboxylate
著者Brear, P, Prudent, R, Laudet, B, Filhol, O, Cochet, C, Sautel, C, Moucadel, V, Bestgen, B, Engel, M, Ettaoussi, M, Lomberget, T, Le Borgne, M, Kufareva, I, Abagyan, R, Hyvonen, M.
登録日2018-03-02
公開日2019-06-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors.
Sci Rep, 9, 2019
5MO7
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BU of 5mo7 by Molmil
Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound
分子名称: 3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanamide, Casein kinase II subunit alpha, PHOSPHATE ION
著者Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
登録日2016-12-13
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 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
5BXU
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BU of 5bxu by Molmil
Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide cp4n4m5
分子名称: 4,4'-pentane-1,5-diylbis(1-propyl-1H-1,2,3-triazole), CHLORIDE ION, Tankyrase-2, ...
著者Xu, W, Fischer, G, Hyvonen, M, Itzhaki, L.
登録日2015-06-09
公開日2016-06-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Human Tankyrase-2 in Complex with Extended Stapled Peptide sp4n4m5
to be published
5MOD
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BU of 5mod by Molmil
Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound
分子名称: (3-chloranyl-4-propan-2-yloxy-phenyl)methanamine, ACETATE ION, 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 (2.08 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
5MOW
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BU of 5mow by Molmil
Crystal Structure of CK2alpha with ZT0432 bound
分子名称: 5-bromopyridine-2,3-diamine, ACETATE ION, 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 (1.86 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
5MPJ
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BU of 5mpj by Molmil
1-(2-chloro-[1,1'-biphenyl]-4-yl)-N-methylethanamine
分子名称: (3-chloranyl-4-phenyl-phenyl)methyl-ethyl-azanium, 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2016-12-16
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.14 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
5MO6
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BU of 5mo6 by Molmil
Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound
分子名称: 3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoic acid, ACETATE ION, 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2016-12-13
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.825 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

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