3BYO

X-Ray co-crystal structure of 2-amino-6-phenylpyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one 25 bound to Lck

3BYO の概要

• エントリーDOI: 10.2210/pdb3byo/pdb
• 関連するPDBエントリー: 3BYM
• 分子名称: Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION, 6-(2,6-dimethylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one, ... (4 entities in total)
• 機能のキーワード: lck, kinase domain, alternative splicing, atp-binding, chromosomal rearrangement, cytoplasm, disease mutation, host-virus interaction, lipoprotein, membrane, myristate, nucleotide-binding, palmitate, phosphoprotein, proto-oncogene, sh2 domain, sh3 domain, transferase, tyrosine-protein kinase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm: P06239
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 32052.55

構造登録者

Huang, X. (登録日: 2008-01-16, 公開日: 2008-12-30, 最終更新日: 2023-11-15)

• 主引用文献: Martin, M.W.,Newcomb, J.,Nunes, J.J.,Boucher, C.,Chai, L.,Epstein, L.F.,Faust, T.,Flores, S.,Gallant, P.,Gore, A.,Gu, Y.,Hsieh, F.,Huang, X.,Kim, J.L.,Middleton, S.,Morgenstern, K.,Oliveira-dos-Santos, A.,Patel, V.F.,Powers, D.,Rose, P.,Tudor, Y.,Turci, S.M.,Welcher, A.A.,Zack, D.,Zhao, H.,Zhu, L.,Zhu, X.,Ghiron, C.,Ermann, M.,Johnston, D.,Saluste, C.G.; Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity.; J.Med.Chem., 51:1637-1648, 2008; PubMed: 18278858; DOI: 10.1021/jm701095m

実験手法

X-RAY DIFFRACTION (2 Å)