1Y91

Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor

1Y91 の概要

• エントリーDOI: 10.2210/pdb1y91/pdb
• 関連するPDBエントリー: 1Y8Y
• 分子名称: Cell division protein kinase 2, 4-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)-3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE (3 entities in total)
• 機能のキーワード: serine/threonine protein kinase, cdk2, atp-binding, cell cycle, mitosis, phosphorylation, pyrazolopyrimidine inhibitor, transferase
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34448.11

構造登録者

Williamson, D.S.,Parratt, M.J.,Torrance, C.J.,Bower, J.F.,Moore, J.D.,Richardson, C.M.,Dokurno, P.,Cansfield, A.D.,Francis, G.L.,Hebdon, R.J.,Howes, R.,Jackson, P.S.,Lockie, A.M.,Murray, J.B.,Nunns, C.L.,Powles, J.,Robertson, A.,Surgenor, A.E. (登録日: 2004-12-14, 公開日: 2005-02-08, 最終更新日: 2023-08-23)

主引用文献

Williamson, D.S.,Parratt, M.J.,Bower, J.F.,Moore, J.D.,Richardson, C.M.,Dokurno, P.,Cansfield, A.D.,Francis, G.L.,Hebdon, R.J.,Howes, R.,Jackson, P.S.,Lockie, A.M.,Murray, J.B.,Nunns, C.L.,Powles, J.,Robertson, A.,Surgenor, A.E.,Torrance, C.J.
Structure-guided design of pyrazolo[1,5-a]pyrimidines as inhibitors of human cyclin-dependent kinase 2.
Bioorg.Med.Chem.Lett., 15:863-867, 2005

PubMed Abstract: The protein structure guided design of a series of pyrazolo[1,5-a]pyrimidines with high potency for human cyclin-dependent kinase 2 (CDK2) is described. Some examples were shown to inhibit the growth of human colon tumour cells, were equipotent for CDK1 and were selective against GSK-3beta and other kinases.

PubMed: 15686876
DOI: 10.1016/j.bmcl.2004.12.073

実験手法

X-RAY DIFFRACTION (2.15 Å)