Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 85 件
5CLP
DownloadVisualize
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
7ZY8
DownloadVisualize
BU of 7zy8 by Molmil
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
7ZY0
DownloadVisualize
BU of 7zy0 by Molmil
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
7ZY5
DownloadVisualize
BU of 7zy5 by Molmil
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
7ZY2
DownloadVisualize
BU of 7zy2 by Molmil
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
8AEK
DownloadVisualize
BU of 8aek by Molmil
Structure of Compound 14 bound to CK2alpha
分子名称: 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanenitrile, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Brear, P, Fusco, C, Atkinson, E, Iegre, J, Francis-Newton, N, Venkotaraman, A, Spring, D, Hyvonen, M.
登録日2022-07-13
公開日2022-10-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.65 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
8AEM
DownloadVisualize
BU of 8aem by Molmil
Structure of Compound 13 bound to CK2alpha
分子名称: 2-(5-chloranyl-1H-indol-3-yl)ethanenitrile, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Brear, P, Fusco, C, Atkinson, E, Iegre, J, Francis-Newton, N, Venkotaraman, A, Spring, D, Hyvonen, M.
登録日2022-07-13
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 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
8AEC
DownloadVisualize
BU of 8aec by Molmil
Structure of Compound 17 bound to CK2alpha
分子名称: 2-(5-bromanyl-6-chloranyl-1H-indazol-3-yl)ethanenitrile, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Brear, P, De Fusco, C, Atkinson, E, Iegre, I, Francis, N, Venkitaraman, A, Spring, D, Hyvonen, M.
登録日2022-07-12
公開日2022-10-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.09 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
8AE7
DownloadVisualize
BU of 8ae7 by Molmil
The strucuture of Compound 15 bound to CK2alpha
分子名称: 2-[5,6-bis(bromanyl)-1H-indazol-3-yl]ethanenitrile, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
著者Brear, P, De Fusco, C, Atkinson, E, Frances, N, Iegre, J, Venkitaraman, A, Hyvonen, M, Spring, D.
登録日2022-07-12
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.28 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
5MMF
DownloadVisualize
BU of 5mmf by Molmil
Crystal Structure of CK2alpha with Compound 7 bound
分子名称: (3-chloranyl-4-phenyl-phenyl)methyl-propyl-azanium, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2016-12-09
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.99 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
5MO7
DownloadVisualize
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
5MOV
DownloadVisualize
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
6EII
DownloadVisualize
BU of 6eii by Molmil
The crystal structure of CK2alpha in complex with compound 18
分子名称: (3-chloranyl-4-phenyl-phenyl)methyl-(3-phenylpropyl)azanium, ACETATE ION, Casein kinase II subunit alpha, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-09-19
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.935 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
6EHU
DownloadVisualize
BU of 6ehu by Molmil
The crystal structure of CK2alpha in complex with compound 32
分子名称: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-(trifluoromethyl)phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-09-15
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
7BHS
DownloadVisualize
BU of 7bhs by Molmil
Crystal structure of MAT2a with quinazoline fragment 2 bound in the allosteric site
分子名称: 6-chloranyl-2-methoxy-4-phenyl-quinazoline, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S.
登録日2021-01-11
公開日2021-04-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
7BHU
DownloadVisualize
BU of 7bhu by Molmil
Crystal structure of MAT2a with elaborated fragment 26 bound in the allosteric site
分子名称: 1,2-ETHANEDIOL, 7-chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one, S-ADENOSYLMETHIONINE, ...
著者Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S.
登録日2021-01-11
公開日2021-04-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
7BHW
DownloadVisualize
BU of 7bhw by Molmil
Crystal structure of MAT2a bound to allosteric inhibitor (compound 29)
分子名称: 7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S.
登録日2021-01-11
公開日2021-04-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
7BHR
DownloadVisualize
BU of 7bhr by Molmil
Crystal structure of MAT2a with triazinone fragment 1 bound in the allosteric site
分子名称: 4-(dimethylamino)-6-ethoxy-1~{H}-1,3,5-triazin-2-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S.
登録日2021-01-11
公開日2021-04-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
7BHV
DownloadVisualize
BU of 7bhv by Molmil
Crystal structure of MAT2a bound to allosteric inhibitor and in vivo tool compound 28
分子名称: 7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S.
登録日2021-01-11
公開日2021-04-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
7BHT
DownloadVisualize
BU of 7bht by Molmil
Crystal structure of MAT2a with quinazolinone fragment 5 bound in the allosteric site
分子名称: 7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S.
登録日2021-01-11
公開日2021-04-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.052 Å)
主引用文献Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
7BHX
DownloadVisualize
BU of 7bhx by Molmil
Crystal structure of MAT2a bound to allosteric inhibitor (compound 31)
分子名称: 7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S.
登録日2021-01-11
公開日2021-04-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
6EHK
DownloadVisualize
BU of 6ehk by Molmil
The crystal structure of CK2alpha in complex with CAM4712 and compound 37
分子名称: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine, 2-hydroxy-5-methylbenzoic acid, ACETATE ION, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-09-13
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5CSV
DownloadVisualize
BU of 5csv by Molmil
Crystal Structure of CK2alpha with Compound 6 bound
分子名称: 3-AMINOBENZOIC 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2015-07-23
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.375 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CU4
DownloadVisualize
BU of 5cu4 by Molmil
Crystal structure of CK2alpha bound to CAM4066
分子名称: ACETATE ION, Casein kinase II subunit alpha, N-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-N-(3-carboxyphenyl)-beta-alaninamide
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 (1.56 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CVG
DownloadVisualize
BU of 5cvg by Molmil
Crystal Structure of CK2alpha with a novel closed conformation of the aD loop
分子名称: ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-26
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016

 

1234>

221371

件を2024-06-19に公開中

PDB statisticsPDBj update infoContact PDBjnumon