Author results

1H0V
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HUMAN CYCLIN DEPENDENT PROTEIN KINASE 2 IN COMPLEX WITH THE INHIBITOR 2-AMINO-6-[(R)-PYRROLIDINO-5'-YL]METHOXYPURINE
Descriptor:CELL DIVISION PROTEIN KINASE 2, 5-{[(2-AMINO-9H-PURIN-6-YL)OXY]METHYL}-2-PYRROLIDINONE
Authors:Gibson, A.E., Arris, C.E., Bentley, J., Boyle, F.T., Curtin, N.J., Davies, T.G., Endicott, J.A., Golding, B.T., Grant, S., Griffin, R.J., Jewsbury, P., Johnson, L.N., Mesguiche, V., Newell, D.R., Noble, M.E.M., Tucker, J.A., Whitfield, H.J.
Deposit date:2002-06-27
Release date:2003-06-27
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing the ATP Ribose-Binding Domain of Cyclin-Dependent Kinases 1 and 2 with O(6)-Substituted Guanine Derivatives
J.Med.Chem., 45, 2002
1H0W
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HUMAN CYCLIN DEPENDENT PROTEIN KINASE 2 IN COMPLEX WITH THE INHIBITOR 2-AMINO-6-[CYCLOHEX-3-ENYL]METHOXYPURINE
Descriptor:CELL DIVISION PROTEIN KINASE 2, 1-AMINO-6-CYCLOHEX-3-ENYLMETHYLOXYPURINE
Authors:Gibson, A.E., Arris, C.E., Bentley, J., Boyle, F.T., Curtin, N.J., Davies, T.G., Endicott, J.A., Golding, B.T., Grant, S., Griffin, R.J., Jewsbury, P., Johnson, L.N., Mesguiche, V., Newell, D.R., Noble, M.E.M., Tucker, J.A., Whitfield, H.J.
Deposit date:2002-06-27
Release date:2003-06-27
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Probing the ATP Ribose-Binding Domain of Cyclin-Dependent Kinases 1 and 2 with O(6)-Substituted Guanine Derivatives
J.Med.Chem., 45, 2002
2IW6
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STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A COMPLEXED WITH A BISANILINOPYRIMIDINE INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, [(2-CHLORO-5-METHYLPHENYL){6-[(4-{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO]ACETONITRILE, ...
Authors:Pratt, D.J., Bentley, J., Jewsbury, P., Boyle, F.T., Endicott, J.A., Noble, M.E.M.
Deposit date:2006-06-26
Release date:2006-09-06
Last modified:2012-11-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Dissecting the Determinants of Cyclin-Dependent Kinase 2 and Cyclin-Dependent Kinase 4 Inhibitor Selectivity.
J.Med.Chem., 49, 2006
2IW8
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STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A F82H-L83V-H84D MUTANT WITH AN O6-CYCLOHEXYLMETHYLGUANINE INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE, ...
Authors:Pratt, D.J., Bentley, J., Jewsbury, P., Boyle, F.T., Endicott, J.A., Noble, M.E.M.
Deposit date:2006-06-27
Release date:2006-09-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Dissecting the Determinants of Cyclin-Dependent Kinase 2 and Cyclin-Dependent Kinase 4 Inhibitor Selectivity.
J.Med.Chem., 49, 2006
2IW9
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STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A COMPLEXED WITH A BISANILINOPYRIMIDINE INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE, ...
Authors:Pratt, D.J., Bentley, J., Jewsbury, P., Boyle, F.T., Endicott, J.A., Noble, M.E.M.
Deposit date:2006-06-27
Release date:2006-09-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dissecting the Determinants of Cyclin-Dependent Kinase 2 and Cyclin-Dependent Kinase 4 Inhibitor Selectivity.
J.Med.Chem., 49, 2006
2UUE
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REPLACE: A STRATEGY FOR ITERATIVE DESIGN OF CYCLIN BINDING GROOVE INHIBITORS
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, GVC-TETRAPEPTIDE INHIBITOR, ...
Authors:Andrews, M.J., Kontopidis, G., McInnes, C., Plater, A., Innes, L., Cowan, A., Jewsbury, P., Fischer, P.M.
Deposit date:2007-03-02
Release date:2007-03-27
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Replace: A Strategy for Iterative Design of Cyclin- Binding Groove Inhibitors
Chembiochem, 7, 2006
2V22
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REPLACE: A STRATEGY FOR ITERATIVE DESIGN OF CYCLIN BINDING GROOVE INHIBITORS
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N~2~-{[1-(4-CHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOL-3-YL]CARBONYL}-N~5~-(DIAMINOMETHYLIDENE)-L-ORNITHYL-L-LEUCYL-L-ISOLEUCYL-4-FLUORO-L-PHENYLALANINAMIDE
Authors:Andrews, M.J., Kontopidis, G., McInnes, C., Plater, A., Innes, L., Cowan, A., Jewsbury, P., Fischer, P.M.
Deposit date:2007-05-31
Release date:2008-01-29
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Replace: A Strategy for Iterative Design of Cyclin- Binding Groove Inhibitors
Chembiochem, 7, 2006
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
1E1V
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HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR NU2058
Descriptor:CYCLIN-DEPENDENT PROTEIN KINASE 2, 6-O-CYCLOHEXYLMETHYL GUANINE
Authors:Endicott, J.A., Noble, M.E.M., Johnson, L.N.
Deposit date:2000-05-11
Release date:2001-05-10
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Identification of Novel Purine and Pyrimidine Cyclin-Dependent Kinase Inhibitors with Distinct Molecular Interactions and Tumor Cell Growth Inhibition Profiles.
J.Med.Chem., 43, 2000
1E1X
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HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR NU6027
Descriptor:CYCLIN-DEPENDENT PROTEIN KINASE 2, 6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE
Authors:Endicott, J.A., Noble, M.E.M., Johnson, L.N.
Deposit date:2000-05-11
Release date:2001-05-10
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of Novel Purine and Pyrimidine Cyclin-Dependent Kinase Inhibitors with Distinct Molecular Interactions and Tumor Cell Growth Inhibition Profiles.
J.Med.Chem., 43, 2000
1GZ8
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HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 2-AMINO-6-(3'-METHYL-2'-OXO)BUTOXYPURINE
Descriptor:CELL DIVISION PROTEIN KINASE 2, 1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-6-YL)OXY]-3-METHYL-2-BUTANOL
Authors:Davies, T., Endicott, J., Johnson, L., Noble, M., Tucker, J.
Deposit date:2002-05-17
Release date:2003-06-12
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Probing the ATP Ribose-Binding Domain of Cyclin-Dependent Kinases 1 and 2 with O(6)-Substituted Guanine Derivatives
J.Med.Chem., 45, 2002
1H1P
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STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH THE INHIBITOR NU2058
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, 6-O-CYCLOHEXYLMETHYL GUANINE
Authors:Davies, T.G., Noble, M.E.M., Endicott, J.A., Johnson, L.N.
Deposit date:2002-07-21
Release date:2002-09-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor
Nat.Struct.Biol., 9, 2002
1H1Q
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STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH THE INHIBITOR NU6094
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE
Authors:Davies, T.G., Noble, M.E.M., Endicott, J.A., Johnson, L.N.
Deposit date:2002-07-21
Release date:2002-09-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor
Nat.Struct.Biol., 9, 2002
1H1R
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STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH THE INHIBITOR NU6086
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE
Authors:Davies, T.G., Noble, M.E.M., Endicott, J.A., Johnson, L.N.
Deposit date:2002-07-21
Release date:2002-09-19
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of a potent purine-based cyclin-dependent kinase inhibitor.
Nat. Struct. Biol., 9, 2002
1H1S
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STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH THE INHIBITOR NU6102
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE
Authors:Davies, T.G., Noble, M.E.M., Endicott, J.A., Johnson, L.N.
Deposit date:2002-07-21
Release date:2002-09-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor
Nat.Struct.Biol., 9, 2002
1OGU
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STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH A 2-ARYLAMINO-4-CYCLOHEXYLMETHYL-5-NITROSO-6-AMINOPYRIMIDINE INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE, ...
Authors:Pratt, D.J., Endicott, J.A., Noble, M.E.M.
Deposit date:2003-05-13
Release date:2003-09-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Based Design of 2-Arylamino-4-Cyclohexyl Methyl-5-Nitroso-6-Aminopyrimidine Inhibitors of Cyclin-Dependent Kinases 1 and 2
Bioorg.Med.Chem.Lett., 13, 2003
1OI9
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STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH A 6-CYCLOHEXYLMETHYLOXY-2-ANILINO-PURINE INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE, ...
Authors:Pratt, D.J., Endicott, J.A., Noble, M.E.M.
Deposit date:2003-06-10
Release date:2004-07-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2
J.Med.Chem., 47, 2004
1OIU
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STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH A 6-CYCLOHEXYLMETHYLOXY-2-ANILINO-PURINE INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE, ...
Authors:Pratt, D.J., Endicott, J.A., Noble, M.E.M.
Deposit date:2003-06-26
Release date:2004-07-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2
J.Med.Chem., 47, 2004
1OIY
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STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH A 6-CYCLOHEXYLMETHYLOXY-2-ANILINO-PURINE INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE, ...
Authors:Pratt, D.J., Endicott, J.A., Noble, M.E.M.
Deposit date:2003-06-26
Release date:2004-07-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2
J.Med.Chem., 47, 2004