6RN8

RIP2 Kinase Catalytic Domain complex with 2(4[(1,3benzothiazol5yl)amino]6(2methylpropane2sulfonyl)quinazolin7yl)oxy)ethyl phosphate

Summary for 6RN8

Entry DOI	10.2210/pdb6rn8/pdb
Descriptor	Receptor-interacting serine/threonine-protein kinase 2, 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethyl dihydrogen phosphate, CALCIUM ION, ... (4 entities in total)
Functional Keywords	kinase, structure based drug discovery, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	72483.10
Authors	Convery, M.A.,Haile, P.A. (deposition date: 2019-05-08, release date: 2019-07-17, Last modification date: 2024-01-24)
Primary citation	Haile, P.A.,Casillas, L.N.,Votta, B.J.,Wang, G.Z.,Charnley, A.K.,Dong, X.,Bury, M.J.,Romano, J.J.,Mehlmann, J.F.,King, B.W.,Erhard, K.F.,Hanning, C.R.,Lipshutz, D.B.,Desai, B.M.,Capriotti, C.A.,Schaeffer, M.C.,Berger, S.B.,Mahajan, M.K.,Reilly, M.A.,Nagilla, R.,Rivera, E.J.,Sun, H.H.,Kenna, J.K.,Beal, A.M.,Ouellette, M.T.,Kelly, M.,Stemp, G.,Convery, M.A.,Vossenkamper, A.,MacDonald, T.T.,Gough, P.J.,Bertin, J.,Marquis, R.W. Discovery of a First-in-Class Receptor Interacting Protein 2 (RIP2) Kinase Specific Clinical Candidate, 2-((4-(Benzo[d]thiazol-5-ylamino)-6-(tert-butylsulfonyl)quinazolin-7-yl)oxy)ethyl Dihydrogen Phosphate, for the Treatment of Inflammatory Diseases. J.Med.Chem., 62:6482-6494, 2019 Cited by PubMed: 31265286 DOI: 10.1021/acs.jmedchem.9b00575 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.69 Å)

Structure validation