4CFU
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
Summary for 4CFU
Entry DOI | 10.2210/pdb4cfu/pdb |
Related | 4CFM 4CFN 4CFV 4CFW 4CFX |
Descriptor | CYCLIN-DEPENDENT KINASE 2, CYCLIN-A2, 3-[2-azanyl-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methyl-benzoic acid, ... (6 entities in total) |
Functional Keywords | transferase, structure-based drug design, conformational restraint, reversed binding mode |
Biological source | HOMO SAPIENS (HUMAN) More |
Cellular location | Cytoplasm, cytoskeleton, microtubule organizing center, centrosome: P24941 Nucleus : P20248 P20248 |
Total number of polymer chains | 4 |
Total formula weight | 129807.53 |
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. (deposition date: 2013-11-19, release date: 2014-12-10, Last modification date: 2023-12-20) |
Primary citation | Carbain, B.,Paterson, D.J.,Anscombe, E.,Campbell-Dexter, A.,Cano, C.,Echalier, A.,Endicott, J.,Golding, B.T.,Haggerty, K.,Hardcastle, I.R.,Jewsbury, P.J.,Newell, D.R.,Noble, M.,Roche, C.,Wang, L.,Griffin, R.J. 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode. J.Med.Chem., 57:56-, 2014 Cited by PubMed: 24304238DOI: 10.1021/JM401555V PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.2 Å) |
Structure validation
Download full validation report