Author results

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
5LRQ
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BRD4 IN COMPLEX WITH ERK5 INHIBITOR XMD8-92
Descriptor:Bromodomain-containing protein 4, 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
Authors:Martin, M.P., Noble, M.E.M.
Deposit date:2016-08-19
Release date:2017-08-30
Last modified:2019-09-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38 alpha and BRD4.
Eur.J.Med.Chem., 178, 2019
5O7I
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ERK5 IN COMPLEX WITH A PYRROLE INHIBITOR
Descriptor:Mitogen-activated protein kinase 7, 4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{N}-pyridin-3-yl-1~{H}-pyrrole-2-carboxamide, DIMETHYL SULFOXIDE
Authors:Tucker, J.A., Heptinstall, A., Myers, S.
Deposit date:2017-06-08
Release date:2018-06-20
Last modified:2019-06-26
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38 alpha and BRD4.
Eur.J.Med.Chem., 178, 2019
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
167327
PDB entries from 2020-08-05