3FPM

Crystal Structure of a Squarate Inhibitor bound to MAPKAP Kinase-2

3FPM の概要

• エントリーDOI: 10.2210/pdb3fpm/pdb
• 関連するPDBエントリー: 1nxk 1ny3
• 分子名称: MAP kinase-activated protein kinase 2, 3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione (2 entities in total)
• 機能のキーワード: atp-binding, alternative splicing, kinase, nucleotide-binding, phosphoprotein, polymorphism, serine/threonine-protein kinase, 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: 37945.85

構造登録者

Parris, K.D. (登録日: 2009-01-05, 公開日: 2009-04-07, 最終更新日: 2023-09-06)

主引用文献

Lovering, F.,Kirincich, S.,Wang, W.,Combs, K.,Resnick, L.,Sabalski, J.E.,Butera, J.,Liu, J.,Parris, K.,Telliez, J.B.
Identification and SAR of squarate inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK-2)
Bioorg.Med.Chem., 17:3342-3351, 2009

PubMed Abstract: A novel series of inhibitors for mitogen activated protein kinase-activated protein kinase 2 (MK-2) are reported. These squarate based inhibitors were identified via a high-throughput screen. An MK2 co-structure with the starting ligand was obtained and a structure based approach was followed to optimize potency and selectivity.

PubMed: 19364658
DOI: 10.1016/j.bmc.2009.03.041

実験手法

X-RAY DIFFRACTION (3.3 Å)