6HMX

RIP2 Kinase Catalytic Domain complex with N(4,5dimethyl1Hpyrazol3yl)7methoxy6(2methylpropane2sulfonyl)quinolin4amine

6HMX の概要

• エントリーDOI: 10.2210/pdb6hmx/pdb
• 分子名称: Receptor-interacting serine/threonine-protein kinase 2, 6-~{tert}-butylsulfonyl-~{N}-(3,4-dimethyl-1~{H}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine (3 entities in total)
• 機能のキーワード: kinase, kinase inhibitor, complex, structure based drug discovery, transferase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 72142.92

構造登録者

Convery, M.A.,Haile, P.A. (登録日: 2018-09-13, 公開日: 2018-11-07)

• 主引用文献: Haile, P.A.,Casillas, L.N.,Bury, M.J.,Mehlmann, J.F.,Singhaus Jr., R.,Charnley, A.K.,Hughes, T.V.,DeMartino, M.P.,Wang, G.Z.,Romano, J.J.,Dong, X.,Plotnikov, N.V.,Lakdawala, A.S.,Convery, M.A.,Votta, B.J.,Lipshutz, D.B.,Desai, B.M.,Swift, B.,Capriotti, C.A.,Berger, S.B.,Mahajan, M.K.,Reilly, M.A.,Rivera, E.J.,Sun, H.H.,Nagilla, R.,LePage, C.,Ouellette, M.T.,Totoritis, R.D.,Donovan, B.T.,Brown, B.S.,Chaudhary, K.W.,Gough, P.J.,Bertin, J.,Marquis, R.W.; Identification of Quinoline-Based RIP2 Kinase Inhibitors with an Improved Therapeutic Index to the hERG Ion Channel.; ACS Med Chem Lett, 9:1039-1044, 2018; PubMed: 30344914; DOI: 10.1021/acsmedchemlett.8b00344

実験手法

X-RAY DIFFRACTION (2.53 Å)