1P2A

The structure of cyclin dependent kinase 2 (CKD2) with a trisubstituted naphthostyril inhibitor

1P2A の概要

• エントリーDOI: 10.2210/pdb1p2a/pdb
• 関連するPDBエントリー: 1FVT
• 分子名称: Cell division protein kinase 2, 5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE (3 entities in total)
• 機能のキーワード: cyclin dependent kinase, naphthostyril 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: 34286.81

構造登録者

Liu, J.-J.,Dermatakis, A.,Lukacs, C.M.,Konzelmann, F.,Chen, Y.,Kammlott, U.,Depinto, W.,Yang, H.,Yin, X.,Chen, Y.,Schutt, A.,Simcox, M.E.,Luk, K.-C. (登録日: 2003-04-15, 公開日: 2003-07-15, 最終更新日: 2024-02-14)

主引用文献

Liu, J.-J.,Dermatakis, A.,Lukacs, C.M.,Konzelmann, F.,Chen, Y.,Kammlott, U.,Depinto, W.,Yang, H.,Yin, X.,Chen, Y.,Schutt, A.,Simcox, M.E.,Luk, K.-C.
3,5,6-Trisubstituted Naphthostyrils as CDK2 Inhibitors
BIOORG.MED.CHEM., 13:2465-2468, 2003

PubMed Abstract: A novel class of 3,5,6-trisubstituted naphthostyril analogues was designed and synthesized to study the structure-activity relationship for inhibition of cyclin-dependent kinase 2 (CDK2). These compounds, particularly molecules with side-chain modifications providing additional hydrogen bonding capability, were demonstrated to be potent CDK2 inhibitors with cellular activities consistent with CDK2 inhibition. These molecules inhibited tumor cell proliferation and G1-S and G2-M cell-cycle progression in vitro. The X-ray crystal structure of a 2-aminoethyleneamine derivative bound to CDK2, refined to 2.5A resolution, is presented.

PubMed: 12852944
DOI: 10.1016/S0960-894X(03)00488-8

実験手法

X-RAY DIFFRACTION (2.5 Å)