4CFM

Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.

4CFM の概要

• エントリーDOI: 10.2210/pdb4cfm/pdb
• 分子名称: CYCLIN-DEPENDENT KINASE 2, CYCLIN-A2, 6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9H-purin-2-amine, ... (4 entities in total)
• 機能のキーワード: cell cycle, cyclin dependent kinases, structure-based drug design, conformational restraint, reversed binding mode
• 由来する生物種: HOMO SAPIENS (HUMAN); 詳細
• 細胞内の位置: Cytoplasm, cytoskeleton, microtubule organizing center, centrosome: P24941; Nucleus : P20248
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 128859.28

構造登録者

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. (登録日: 2013-11-18, 公開日: 2014-12-10, 最終更新日: 2023-12-20)

• 主引用文献: 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; PubMed: 24304238; DOI: 10.1021/JM401555V

実験手法

X-RAY DIFFRACTION (2.85 Å)