2CGU

Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening

2CGU の概要

• エントリーDOI: 10.2210/pdb2cgu/pdb
• 関連するPDBエントリー: 1IA8 1NVQ 1NVR 1NVS 2BR1 2BRB 2BRG 2BRH 2BRM 2BRN 2BRO 2C3J 2C3K 2C3L 2CGV 2CGW 2CGX
• 分子名称: SERINE/THREONINE-PROTEIN KINASE CHK1, 2,2'-{[9-(HYDROXYIMINO)-9H-FLUORENE-2,7-DIYL]BIS(OXY)}DIACETIC ACID (3 entities in total)
• 機能のキーワード: transferase, docking, drug design, oncology, virtual screening, atp- binding, cell cycle, dna damage, dna repair, kinase, nuclear protein, nucleotide-binding, phosphorylation, polymorphism, serine/threonine-protein kinase, ubl conjugation
• 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: 34491.44

構造登録者

Foloppe, N.,Fisher, L.M.,Howes, R.,Potter, A.,Robertson, A.G.S.,Surgenor, A.E. (登録日: 2006-03-09, 公開日: 2006-04-05, 最終更新日: 2023-12-13)

• 主引用文献: Foloppe, N.,Fisher, L.M.,Howes, R.,Potter, A.,Robertson, A.G.S.,Surgenor, A.E.; Identification of Chemically Diverse Chk1 Inhibitors by Receptor-Based Virtual Screening.; Bioorg.Med.Chem., 14:4792-, 2006; PubMed: 16574416; DOI: 10.1016/J.BMC.2006.03.021

実験手法

X-RAY DIFFRACTION (2.5 Å)