1R78

CDK2 complex with a 4-alkynyl oxindole inhibitor

1R78 の概要

• エントリーDOI: 10.2210/pdb1r78/pdb
• 関連するPDBエントリー: 1fvt 1p2a
• 分子名称: Cell division protein kinase 2, 4-((3R,4S,5R)-4-AMINO-3,5-DIHYDROXY-HEX-1-YNYL)-5-FLUORO-3-[1-(3-METHOXY-1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE (3 entities in total)
• 機能のキーワード: cyclin dependent kinase, serine/threonine protein kinase, oxindole, 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: 34361.88

構造登録者

Luk, K.-C.,Simcox, M.E.,Schutt, A.,Rowan, K.,Thompson, T.,Chen, Y.,Kammlott, U.,DePinto, W.,Dunten, P.,Dermatakis, A. (登録日: 2003-10-20, 公開日: 2004-01-20, 最終更新日: 2024-02-14)

主引用文献

Luk, K.-C.,Simcox, M.E.,Schutt, A.,Rowan, K.,Thompson, T.,Chen, Y.,Kammlott, U.,DePinto, W.,Dunten, P.,Dermatakis, A.
A new series of potent oxindole inhibitors of CDK2
Bioorg.Med.Chem.Lett., 14:913-917, 2004

PubMed Abstract: A novel series of oxindole-type inhibitors of CDK2 that have heteroatom substituted alkynyl moieties at their C-4 position is described. These novel 4-alkynyl-substituted inhibitors have superior potency relative to their parent compound in free enzyme and in cell based assays. The crystal structure of CDK2 in complex with one of these analogues was determined and gives insight to their increased potency. The biochemical evaluation of a representative derivative is also described.

PubMed: 15012993
DOI: 10.1016/j.bmcl.2003.12.009

実験手法

X-RAY DIFFRACTION (2 Å)