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5LQF
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CDK1/CYCLINB1/CKS2 IN COMPLEX WITH NU6102
Descriptor:Cyclin-dependent kinase 1, G2/mitotic-specific cyclin-B1, Cyclin-dependent kinases regulatory subunit 2, ...
Authors:Coxon, C.R., Anscombe, E., Harnor, S.J., Martin, M.P., Carbain, B.J., Hardcastle, I.R., Harlow, L.K., Korolchuk, S., Matheson, C.J., Noble, M.E., Newell, D.R., Turner, D.M., Sivaprakasam, M., Wang, L.Z., Wong, C., Golding, B.T., Griffin, R.J., Endicott, J.A., Cano, C.
Deposit date:2016-08-17
Release date:2017-01-11
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.
J. Med. Chem., 60, 2017
5NEV
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CDK2/CYCLIN A IN COMPLEX WITH COMPOUND 73
Descriptor:Cyclin-dependent kinase 2, Cyclin-A2, 4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide
Authors:Coxon, C.R., Anscombe, E., Harnor, S.J., Martin, M.P., Carbain, B., Hardcastle, I.R., Harlow, L.K., Korolchuk, S., Matheson, C.J., Noble, M.E.M., Newell, D.R., Turner, D., Sivaprakasam, M., Wang, L.Z., Wong, C., Golding, B.T., Griffin, R.J., Cano, G.
Deposit date:2017-03-12
Release date:2017-03-29
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.
J. Med. Chem., 60, 2017
6SGD
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NEK2 KINASE COVALENTLY BOUND TO 2-ARYLAMINO-6-ETHYNYLPURINE INHIBITOR 24
Descriptor:Serine/threonine-protein kinase Nek2, SODIUM ION, CHLORIDE ION, ...
Authors:Richards, M.W., Mas-Droux, C.P., Bayliss, R.
Deposit date:2019-08-04
Release date:2020-06-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase
Rsc Med Chem, 2020
6SGH
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NEK2 KINASE COVALENTLY BOUND TO 2-ARYLAMINO-6-ETHYNYLPURINE INHIBITOR 66
Descriptor:Serine/threonine-protein kinase Nek2, 2-[4-[(6-ethenyl-9~{H}-purin-2-yl)amino]phenyl]ethanamide
Authors:Richards, M.W., Mas-Droux, C.P., Bayliss, R.
Deposit date:2019-08-04
Release date:2020-06-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase
Rsc Med Chem, 2020
6SGI
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NEK2 KINASE BOUND TO INHIBITOR 96
Descriptor:Serine/threonine-protein kinase Nek2, 4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide, CHLORIDE ION
Authors:Richards, M.W., Mas-Droux, C.P., Bayliss, R.
Deposit date:2019-08-05
Release date:2020-06-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase
Rsc Med Chem, 2020
6SGK
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NEK2 KINASE BOUND TO INHIBITOR 102
Descriptor:Serine/threonine-protein kinase Nek2, 2-phenylazanyl-9~{H}-purine-6-carbonitrile
Authors:Richards, M.W., Mas-Droux, C.P., Bayliss, R.
Deposit date:2019-08-05
Release date:2020-06-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase
Rsc Med Chem, 2020
5M51
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NEK2 BOUND TO ARYLAMINOPURINE COMPOUND 8
Descriptor:Serine/threonine-protein kinase Nek2, 3-[[6-(cyclohexylmethoxy)-9~{H}-purin-2-yl]amino]benzamide
Authors:Bayliss, R., Yeoh, S.
Deposit date:2016-10-20
Release date:2016-11-09
Last modified:2017-05-03
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Structure-guided design of purine-based probes for selective Nek2 inhibition.
Oncotarget, 8, 2017
5M53
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NEK2 BOUND TO ARYLAMINOPURINE INHIBITOR 11
Descriptor:Serine/threonine-protein kinase Nek2, 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:2017-05-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided design of purine-based probes for selective Nek2 inhibition.
Oncotarget, 8, 2017
5M55
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NEK2 BOUND TO ARYLAMINOPURINE 71
Descriptor:Serine/threonine-protein kinase Nek2, 6-[(~{Z})-2-(diethylamino)ethenyl]-~{N}-phenyl-7~{H}-purin-2-amine, SULFATE ION, ...
Authors:Bayliss, R.
Deposit date:2016-10-20
Release date:2016-11-02
Last modified:2017-05-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-guided design of purine-based probes for selective Nek2 inhibition.
Oncotarget, 8, 2017
5M57
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NEK2 BOUND TO ARYLAMINOPURINE 6
Descriptor:Serine/threonine-protein kinase Nek2, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE
Authors:Bayliss, R.
Deposit date:2016-10-20
Release date:2016-11-23
Last modified:2017-05-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided design of purine-based probes for selective Nek2 inhibition.
Oncotarget, 8, 2017
171313
PDB entries from 2020-11-18