6SZJ

RIP2 Kinase Catalytic Domain complex with 5amino1tertbutyl3(3methoxyphenyl)1H pyrazole4carboxamide.

Summary for 6SZJ

• Entry DOI: 10.2210/pdb6szj/pdb
• Related: 6sze
• Descriptor: Receptor-interacting serine/threonine-protein kinase 2, 5-amino-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide, CALCIUM ION, ... (4 entities in total)
• Functional Keywords: fragment based drug design (fbdd), receptor interacting protein 2 kinase, ripk2, rip2k, rip2, structure based drug design (sbdd), transferase
• Biological source: Homo sapiens
• Total number of polymer chains: 2
• Total formula weight: 71982.72

Authors

Convery, M.A.,Charnley, A.K.,Shewchuk, L. (deposition date: 2019-10-02, release date: 2019-12-04)

• Primary citation: Haffner, C.D.,Charnley, A.K.,Aquino, C.J.,Casillas, L.,Convery, M.A.,Cox, J.A.,Elban, M.A.,Goodwin, N.C.,Gough, P.J.,Haile, P.A.,Hughes, T.V.,Knapp-Reed, B.,Kreatsoulas, C.,Lakdawala, A.S.,Li, H.,Lian, Y.,Lipshutz, D.,Mehlmann, J.F.,Ouellette, M.,Romano, J.,Shewchuk, L.,Shu, A.,Votta, B.J.,Zhou, H.,Bertin, J.,Marquis, R.W.; Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors.; Acs Med.Chem.Lett., 10:1518-1523, 2019; PubMed: 31749904; DOI: 10.1021/acsmedchemlett.9b00141

Experimental method

X-RAY DIFFRACTION (2.53 Å)