3IDP

B-Raf V600E kinase domain in complex with an aminoisoquinoline inhibitor

3IDP の概要

• エントリーDOI: 10.2210/pdb3idp/pdb
• 分子名称: B-Raf proto-oncogene serine/threonine-protein kinase, N~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine (3 entities in total)
• 機能のキーワード: oncogene, atp-binding, dfg-out, transferase, cardiomyopathy, disease mutation, kinase, metal-binding, nucleotide-binding, phorbol-ester binding, phosphoprotein, proto-oncogene, serine/threonine-protein kinase, zinc-finger
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Nucleus (By similarity): P15056
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 69985.57

構造登録者

Whittington, D.A.,Epstein, L.F. (登録日: 2009-07-21, 公開日: 2009-10-06, 最終更新日: 2023-09-06)

• 主引用文献: Smith, A.L.,Demorin, F.F.,Paras, N.A.,Huang, Q.,Petkus, J.K.,Doherty, E.M.,Nixey, T.,Kim, J.L.,Whittington, D.A.,Epstein, L.F.,Lee, M.R.,Rose, M.J.,Babij, C.,Fernando, M.,Hess, K.,Le, Q.,Beltran, P.,Carnahan, J.; Selective inhibitors of the mutant B-raf pathway: discovery of a potent and orally bioavailable aminoisoquinoline.; J.Med.Chem., 52:6189-6192, 2009; PubMed: 19764794; DOI: 10.1021/jm901081g

実験手法

X-RAY DIFFRACTION (2.7 Å)