2XM9

Structure of a small molecule inhibitor with the kinase domain of Chk2

2XM9 の概要

• エントリーDOI: 10.2210/pdb2xm9/pdb
• 関連するPDBエントリー: 1GXC 2CN5 2CN8 2W0J 2W7X 2WTC 2WTD 2WTI 2WTJ 2XBJ 2XM8
• 分子名称: SERINE/THREONINE-PROTEIN KINASE CHK2, 4-(1H-pyrazol-5-yl)-2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol, NITRATE ION, ... (4 entities in total)
• 機能のキーワード: transferase, cancer
• 由来する生物種: HOMO SAPIENS (HUMAN)
• 細胞内の位置: Isoform 2: Nucleus. Isoform 4: Nucleus. Isoform 7: Nucleus. Isoform 9: Nucleus. Isoform 12: Nucleus. Nucleus, PML body: O96017
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 37546.27

構造登録者

Caldwell, J.J.,Welsh, E.J.,Matijssen, C.,Anderson, V.E.,Antoni, L.,Boxall, K.,Urban, F.,Hayes, A.,Raynaud, F.I.,Rigoreau, L.J.,Raynham, T.,Aherne, G.W.,Pearl, L.H.,Oliver, A.W.,Garrett, M.D.,Collins, I. (登録日: 2010-07-26, 公開日: 2011-01-12, 最終更新日: 2023-12-20)

• 主引用文献: Caldwell, J.J.,Welsh, E.J.,Matijssen, C.,Anderson, V.E.,Antoni, L.,Boxall, K.,Urban, F.,Hayes, A.,Raynaud, F.I.,Rigoreau, L.J.,Raynham, T.,Aherne, G.W.,Pearl, L.H.,Oliver, A.W.,Garrett, M.D.,Collins, I.; Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2.; J.Med.Chem., 54:580-, 2011; PubMed: 21186793; DOI: 10.1021/JM101150B

実験手法

X-RAY DIFFRACTION (2.5 Å)