6HMX

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

Summary for 6HMX

Entry DOI	10.2210/pdb6hmx/pdb
Descriptor	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)
Functional Keywords	kinase, kinase inhibitor, complex, structure based drug discovery, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	72142.92
Authors	Convery, M.A.,Haile, P.A. (deposition date: 2018-09-13, release date: 2018-11-07, Last modification date: 2024-05-15)
Primary citation	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 Cited by PubMed: 30344914 DOI: 10.1021/acsmedchemlett.8b00344 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.53 Å)

Structure validation