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4CFM
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STRUCTURE-BASED DESIGN OF C8-SUBSTITUTED O6-CYCLOHEXYLMETHOXYGUANINE CDK1 AND 2 INHIBITORS.
Descriptor:CYCLIN-DEPENDENT KINASE 2, CYCLIN-A2, 6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9H-purin-2-amine
Authors:Carbain, B., Paterson, D.J., Anscombe, E., Campbell, A., Cano, C., Echalier, A., Endicott, J., Golding, B.T., Haggerty, K., Hardcastle, I.R., Jewsbury, P., Newell, D.R., Noble, M.E.M., Roche, C., Wang, L.Z., Griffin, R.
Deposit date:2013-11-18
Release date:2014-12-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
4CFN
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STRUCTURE-BASED DESIGN OF C8-SUBSTITUTED O6-CYCLOHEXYLMETHOXYGUANINE CDK1 AND 2 INHIBITORS.
Descriptor:CYCLIN-DEPENDENT KINASE 2, CYCLIN-A2, 6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9H-purin-2-amine, ...
Authors:Carbain, B., Paterson, D.J., Anscombe, E., Campbell, A., Cano, C., Echalier, A., Endicott, J., Golding, B.T., Haggerty, K., Hardcastle, I.R., Jewsbury, P., Newell, D.R., Noble, M.E.M., Roche, C., Wang, L.Z., Griffin, R.
Deposit date:2013-11-19
Release date:2013-12-18
Last modified:2014-02-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
4CFU
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STRUCTURE-BASED DESIGN OF C8-SUBSTITUTED O6-CYCLOHEXYLMETHOXYGUANINE CDK1 AND 2 INHIBITORS.
Descriptor:CYCLIN-DEPENDENT KINASE 2, CYCLIN-A2, 3-[2-azanyl-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methyl-benzoic acid, ...
Authors:Carbain, B., Paterson, D.J., Anscombe, E., Campbell, A., Cano, C., Echalier, A., Endicott, J., Golding, B.T., Haggerty, K., Hardcastle, I.R., Jewsbury, P., Newell, D.R., Noble, M.E.M., Roche, C., Wang, L.Z., Griffin, R.
Deposit date:2013-11-19
Release date:2014-12-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
4CFV
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STRUCTURE-BASED DESIGN OF C8-SUBSTITUTED O6-CYCLOHEXYLMETHOXYGUANINE CDK1 AND 2 INHIBITORS.
Descriptor:CYCLIN-DEPENDENT KINASE 2, CYCLIN-A2, 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylphenol, ...
Authors:Carbain, B., Paterson, D.J., Anscombe, E., Campbell, A., Cano, C., Echalier, A., Endicott, J., Golding, B.T., Haggerty, K., Hardcastle, I.R., Jewsbury, P., Newell, D.R., Noble, M.E.M., Roche, C., Wang, L.Z., Griffin, R.
Deposit date:2013-11-19
Release date:2014-12-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
4CFW
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STRUCTURE-BASED DESIGN OF C8-SUBSTITUTED O6-CYCLOHEXYLMETHOXYGUANINE CDK1 AND 2 INHIBITORS.
Descriptor:CYCLIN-DEPENDENT KINASE 2, CYCLIN-A2, 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylbenzenesulfonamide
Authors:Carbain, B., Paterson, D.J., Anscombe, E., Campbell, A., Cano, C., Echalier, A., Endicott, J., Golding, B.T., Haggerty, K., Hardcastle, I.R., Jewsbury, P., Newell, D.R., Noble, M.E.M., Roche, C., Wang, L.Z., Griffin, R.
Deposit date:2013-11-19
Release date:2013-12-18
Last modified:2014-02-12
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
4CFX
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STRUCTURE-BASED DESIGN OF C8-SUBSTITUTED O6-CYCLOHEXYLMETHOXYGUANINE CDK1 AND 2 INHIBITORS.
Descriptor:CYCLIN-DEPENDENT KINASE 2, CYCLIN-A2, 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]benzenesulfonamide
Authors:Carbain, B., Paterson, D.J., Anscombe, E., Campbell, A., Cano, C., Echalier, A., Endicott, J., Golding, B.T., Haggerty, K., Hardcastle, I.R., Jewsbury, P., Newell, D.R., Noble, M.E.M., Roche, C., Wang, L.Z., Griffin, R.
Deposit date:2013-11-19
Release date:2014-12-10
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
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
1W8C
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CO-CRYSTAL STRUCTURE OF 6-CYCLOHEXYLMETHOXY-8-ISOPROPYL-9H-PURIN-2- YLAMINE AND MONOMERIC CDK2
Descriptor:CELL DIVISION PROTEIN KINASE 2, 6-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-9H-PURIN-2-AMINE
Authors:Pratt, D.J., Endicott, J.A., Noble, M.E.M.
Deposit date:2004-09-20
Release date:2006-08-30
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
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
5LMK
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STRUCTURE OF PHOPSHO-CDK2-CYCLIN A IN COMPLEX WITH AN ATP-COMPETITIVE INHIBITOR
Descriptor:Cyclin-dependent kinase 2, Cyclin-A2, 4-[4-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide, ...
Authors:Echalier, A.
Deposit date:2016-08-01
Release date:2017-01-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo[1,5-a]pyrimidines.
Eur J Med Chem, 126, 2016