3BYS

co-crystal structure of Lck and aminopyrimidine amide 10b

3BYS の概要

• エントリーDOI: 10.2210/pdb3bys/pdb
• 関連するPDBエントリー: 2OFV 3BYU
• 分子名称: Proto-oncogene tyrosine-protein kinase LCK, 4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide (3 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: 32647.28

構造登録者

Huang, X. (登録日: 2008-01-16, 公開日: 2008-09-16, 最終更新日: 2023-08-30)

• 主引用文献: DiMauro, E.F.,Newcomb, J.,Nunes, J.J.,Bemis, J.E.,Boucher, C.,Chai, L.,Chaffee, S.C.,Deak, H.L.,Epstein, L.F.,Faust, T.,Gallant, P.,Gore, A.,Gu, Y.,Henkle, B.,Hsieh, F.,Huang, X.,Kim, J.L.,Lee, J.H.,Martin, M.W.,McGowan, D.C.,Metz, D.,Mohn, D.,Morgenstern, K.A.,Oliveira-dos-Santos, A.,Patel, V.F.,Powers, D.,Rose, P.E.,Schneider, S.,Tomlinson, S.A.,Tudor, Y.Y.,Turci, S.M.,Welcher, A.A.,Zhao, H.,Zhu, L.,Zhu, X.; Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation.; J.Med.Chem., 51:1681-1694, 2008; PubMed: 18321037; DOI: 10.1021/jm7010996

実験手法

X-RAY DIFFRACTION (2.2 Å)