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4AFE
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BU of 4afe by Molmil
Nek2 bound to hybrid compound 21
Descriptor: 1,2-ETHANEDIOL, 4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{[(1R,2Z)-4,4,4-TRIFLUORO-1-METHYLBUT-2-EN-1-YL]OXY}BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Yeoh, S, Innocenti, P, Hoelder, S, Bayliss, R.
Deposit date:2012-01-19
Release date:2012-04-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:Design of Potent and Selective Hybrid Inhibitors of the Mitotic Kinase Nek2: Structure-Activity Relationship, Structural Biology, and Cellular Activity.
J.Med.Chem., 55, 2012
5M51
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BU of 5m51 by Molmil
Nek2 bound to arylaminopurine compound 8
Descriptor: 3-[[6-(cyclohexylmethoxy)-9~{H}-purin-2-yl]amino]benzamide, Serine/threonine-protein kinase Nek2
Authors:Bayliss, R, Yeoh, S.
Deposit date:2016-10-20
Release date:2016-11-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Structure-guided design of purine-based probes for selective Nek2 inhibition.
Oncotarget, 8, 2017
5DE2
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BU of 5de2 by Molmil
Structural mechanism of Nek7 activation by Nek9-induced dimerisation
Descriptor: Serine/threonine-protein kinase Nek7, Serine/threonine-protein kinase Nek9
Authors:Haq, T, Bayliss, R.
Deposit date:2015-08-25
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Mechanistic basis of Nek7 activation through Nek9 binding and induced dimerization.
Nat Commun, 6, 2015
6S73
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BU of 6s73 by Molmil
Crystal structure of Nek7 SRS mutant bound to compound 51
Descriptor: 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide, Serine/threonine-protein kinase Nek7
Authors:Nasir, N, Byrne, M.J, Bhatia, C, Bayliss, R.
Deposit date:2019-07-04
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine.
Biochem.J., 477, 2020
6S75
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BU of 6s75 by Molmil
Crystal structure of Nek7 bound to compound 51
Descriptor: 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide, Serine/threonine-protein kinase Nek7
Authors:Nasir, N, Bayliss, R.
Deposit date:2019-07-04
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine.
Biochem.J., 477, 2020
6S76
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BU of 6s76 by Molmil
Crystal structure of human Nek7
Descriptor: DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase Nek7
Authors:Nasir, N, Bayliss, R.
Deposit date:2019-07-04
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine.
Biochem.J., 477, 2020
6SK9
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BU of 6sk9 by Molmil
Nek2 bound to purine compound 51
Descriptor: 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide, GLYCEROL, Serine/threonine-protein kinase Nek2
Authors:Bayliss, R, Byrne, M.J, Mas-Droux, C.
Deposit date:2019-08-15
Release date:2020-06-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine.
Biochem.J., 477, 2020
4A4X
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BU of 4a4x by Molmil
NEK2-EDE bound to CCT248662
Descriptor: 4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2011-10-20
Release date:2012-04-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design of Potent and Selective Hybrid Inhibitors of the Mitotic Kinase Nek2: Structure-Activity Relationship, Structural Biology, and Cellular Activity.
J.Med.Chem., 55, 2012
5M55
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BU of 5m55 by Molmil
Nek2 bound to arylaminopurine 71
Descriptor: 6-[(~{Z})-2-(diethylamino)ethenyl]-~{N}-phenyl-7~{H}-purin-2-amine, CHLORIDE ION, SULFATE ION, ...
Authors:Bayliss, R.
Deposit date:2016-10-20
Release date:2016-11-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-guided design of purine-based probes for selective Nek2 inhibition.
Oncotarget, 8, 2017
5M53
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BU of 5m53 by Molmil
Nek2 bound to arylaminopurine inhibitor 11
Descriptor: 1,2-ETHANEDIOL, 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N},~{N}-dimethyl-benzamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Bayliss, R, Carr, K.H.
Deposit date:2016-10-20
Release date:2016-11-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided design of purine-based probes for selective Nek2 inhibition.
Oncotarget, 8, 2017
5M57
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BU of 5m57 by Molmil
Nek2 bound to arylaminopurine 6
Descriptor: O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE, Serine/threonine-protein kinase Nek2
Authors:Bayliss, R.
Deposit date:2016-10-20
Release date:2016-11-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided design of purine-based probes for selective Nek2 inhibition.
Oncotarget, 8, 2017

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