2BRM

Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand Affinity

2BRM の概要

• エントリーDOI: 10.2210/pdb2brm/pdb
• 関連するPDBエントリー: 1IA8 1NVQ 1NVR 1NVS 2BR1 2BRB 2BRG 2BRH 2BRN 2BRO
• 分子名称: SERINE/THREONINE-PROTEIN KINASE CHK1, 3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE (3 entities in total)
• 機能のキーワード: drug design, furanopyrimidine, molecular recognition, oncology, pyrrolopyrimidine, atp-binding, cell cycle, dna damage, kinase, nuclear protein, phosphorylation, 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: 34478.53

構造登録者

Foloppe, N.,Fisher, L.M.,Howes, R.,Kierstan, P.,Potter, A.,Robertson, A.G.S.,Surgenor, A.E. (登録日: 2005-05-09, 公開日: 2005-05-12, 最終更新日: 2023-12-13)

• 主引用文献: Foloppe, N.,Fisher, L.M.,Howes, R.,Kierstan, P.,Potter, A.,Robertson, A.G.S.,Surgenor, A.E.; Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity.; J.Med.Chem., 48:4332-, 2005; PubMed: 15974586; DOI: 10.1021/JM049022C

実験手法

X-RAY DIFFRACTION (2.2 Å)