2C3K

Identification of a buried pocket for potent and selective inhibition of Chk1: prediction and verification

2C3K の概要

• エントリーDOI: 10.2210/pdb2c3k/pdb
• 関連するPDBエントリー: 1IA8 1NVQ 1NVR 1NVS 2BR1 2BRB 2BRG 2BRH 2BRM 2BRN 2BRO 2C3J 2C3L
• 分子名称: SERINE/THREONINE-PROTEIN KINASE CHK1, 4-[3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOL-6-YL]-2-METHOXYPHENOL (3 entities in total)
• 機能のキーワード: drug design, molecular modeling, molecular recognition, oncology, atp-binding, cell cycle, dna damage, dna repair, kinase, nuclear protein, nucleotide-binding, phosphorylation, polymorphism, serine/threonine-protein kinase, transferase, 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: 34504.53

構造登録者

Foloppe, N.,Fisher, L.M.,Francis, G.,Howes, R.,Kierstan, P.,Potter, A. (登録日: 2005-10-10, 公開日: 2005-11-23, 最終更新日: 2023-12-13)

• 主引用文献: Foloppe, N.,Fisher, L.M.,Francis, G.,Howes, R.,Kierstan, P.,Potter, A.; Identification of a Buried Pocket for Potent and Selective Inhibition of Chk1: Prediction and Verification.; Bioorg.Med.Chem., 14:1792-, 2006; PubMed: 16289938; DOI: 10.1016/J.BMC.2005.10.022

実験手法

X-RAY DIFFRACTION (2.6 Å)