Author results

5CYI
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CDK2/CYCLIN A COVALENT COMPLEX WITH 6-(CYCLOHEXYLMETHOXY)-N-(4-(VINYLSULFONYL)PHENYL)-9H-PURIN-2-AMINE (NU6300)
Descriptor:Cyclin-dependent kinase 2, Cyclin-A2, 6-(cyclohexylmethoxy)-N-[4-(ethylsulfonyl)phenyl]-9H-purin-2-amine
Authors:Anscombe, E., Meschini, E., Vidal, R.M., Martin, M.P., Staunton, D., Geitmann, M., Danielson, U.H., Stanley, W.A., Wang, L.Z., Reuillon, T., Golding, B.T., Cano, C., Newell, D.R., Noble, M.E.M., Wedge, S.R., Endicott, J.A., Griffin, R.J.
Deposit date:2015-07-30
Release date:2015-09-16
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification and Characterization of an Irreversible Inhibitor of CDK2.
Chem.Biol., 22, 2015
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
6GU2
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CDK1/CYCLINB/CKS2 IN COMPLEX WITH FLAVOPIRIDOL
Descriptor:Cyclin-dependent kinase 1, G2/mitotic-specific cyclin-B1, Cyclin-dependent kinases regulatory subunit 2, ...
Authors:Wood, D.J., Korolchuk, S., Tatum, N.J., Wang, L.Z., Endicott, J.A., Noble, M.E.M., Martin, M.P.
Deposit date:2018-06-19
Release date:2018-12-05
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
6GU3
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CDK1/CYCLINB/CKS2 IN COMPLEX WITH AZD5438
Descriptor:Cyclin-dependent kinase 1, G2/mitotic-specific cyclin-B1, Cyclin-dependent kinases regulatory subunit 2, ...
Authors:Wood, D.J., Korolchuk, S., Tatum, N.J., Wang, L.Z., Endicott, J.A., Noble, M.E.M., Martin, M.P.
Deposit date:2018-06-19
Release date:2018-12-05
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
6GU4
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CDK1/CYCLINB/CKS2 IN COMPLEX WITH CGP74514A
Descriptor:Cyclin-dependent kinase 1, G2/mitotic-specific cyclin-B1, Cyclin-dependent kinases regulatory subunit 2, ...
Authors:Wood, D.J., Korolchuk, S., Tatum, N.J., Wang, L.Z., Endicott, J.A., Noble, M.E.M., Martin, M.P.
Deposit date:2018-06-19
Release date:2018-12-05
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
6GU6
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CDK1/CKS2 IN COMPLEX WITH DINACICLIB
Descriptor:Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium
Authors:Wood, D.J., Korolchuk, S., Tatum, N.J., Wang, L.Z., Endicott, J.A., Noble, M.E.M., Martin, M.P.
Deposit date:2018-06-19
Release date:2018-12-05
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
6GU7
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CDK1/CKS2 IN COMPLEX WITH AZD5438
Descriptor:Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine
Authors:Wood, D.J., Korolchuk, S., Tatum, N.J., Wang, L.Z., Endicott, J.A., Noble, M.E.M., Martin, M.P.
Deposit date:2018-06-19
Release date:2018-12-05
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
6GUB
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CDK2/CYCLINA IN COMPLEX WITH FLAVOPIRIDOL
Descriptor:Cyclin-dependent kinase 2, Cyclin-A2, 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one
Authors:Wood, D.J., Korolchuk, S., Tatum, N.J., Wang, L.Z., Endicott, J.A., Noble, M.E.M., Martin, M.P.
Deposit date:2018-06-19
Release date:2018-12-05
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
6GUC
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CDK2/CYCLINA IN COMPLEX WITH SU9516
Descriptor:Cyclin-dependent kinase 2, Cyclin-A2, (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE
Authors:Wood, D.J., Korolchuk, S., Tatum, N.J., Wang, L.Z., Endicott, J.A., Noble, M.E.M., Martin, M.P.
Deposit date:2018-06-19
Release date:2018-12-05
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
6GUE
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CDK2/CYCLINA IN COMPLEX WITH AZD5438
Descriptor:Cyclin-dependent kinase 2, Cyclin-A2, 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine
Authors:Wood, D.J., Korolchuk, S., Tatum, N.J., Wang, L.Z., Endicott, J.A., Noble, M.E.M., Martin, M.P.
Deposit date:2018-06-19
Release date:2018-12-05
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
6GUF
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CDK2/CYCLINA IN COMPLEX WITH CGP74514A
Descriptor:Cyclin-dependent kinase 2, Cyclin-A2, N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE
Authors:Wood, D.J., Korolchuk, S., Tatum, N.J., Wang, L.Z., Endicott, J.A., Noble, M.E.M., Martin, M.P.
Deposit date:2018-06-19
Release date:2018-12-05
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
6GUH
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CDK2 IN COMPLEX WITH AZD5438
Descriptor:Cyclin-dependent kinase 2, 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, 1,2-ETHANEDIOL
Authors:Wood, D.J., Korolchuk, S., Tatum, N.J., Wang, L.Z., Endicott, J.A., Noble, M.E.M., Martin, M.P.
Deposit date:2018-06-19
Release date:2018-12-05
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
6GUK
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CDK2 IN COMPLEX WITH CGP74514A
Descriptor:Cyclin-dependent kinase 2, ~{N}2-[(1~{R},2~{S})-2-azanylcyclohexyl]-~{N}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine
Authors:Wood, D.J., Korolchuk, S., Tatum, N.J., Wang, L.Z., Endicott, J.A., Noble, M.E.M., Martin, M.P.
Deposit date:2018-06-19
Release date:2018-12-05
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
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
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
2G9X
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STRUCTURE OF THR 160 PHOSPHORYLATED CDK2/CYCLIN A IN COMPLEX WITH THE INHIBITOR NU6271
Descriptor:Cell division protein kinase 2, Cyclin-A2, 3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL
Authors:Echalier, A., Endicott, J.A., Noble, M.E.
Deposit date:2006-03-07
Release date:2006-05-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Searching for Cyclin-Dependent Kinase Inhibitors Using a New Variant of the Cope Elimination.
J.Am.Chem.Soc., 128, 2006
4EC8
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STRUCTURE OF FULL LENGTH CDK9 IN COMPLEX WITH CYCLINT AND DRB
Descriptor:Cyclin-dependent kinase 9, Cyclin-T1
Authors:Baumli, S., Hole, A.J., Endicott, J.A.
Deposit date:2012-03-26
Release date:2012-09-12
Last modified:2014-10-22
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The CDK9 tail determines the reaction pathway of positive transcription elongation factor b.
Structure, 20, 2012
4EC9
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CRYSTAL STRUCTURE OF FULL-LENGTH CDK9 IN COMPLEX WITH CYCLIN T
Descriptor:Cyclin-dependent kinase 9, Cyclin-T1
Authors:Baumli, S., Hole, A.J., Endicott, J.A.
Deposit date:2012-03-26
Release date:2012-09-12
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:The CDK9 tail determines the reaction pathway of positive transcription elongation factor b.
Structure, 20, 2012
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
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