6UL8

RIP2 kinase catalytic domain complex with (5S,6S,8R)-2-(benzo[d]thiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide

Summary for 6UL8

• Entry DOI: 10.2210/pdb6ul8/pdb
• Descriptor: Receptor-interacting serine/threonine-protein kinase 2, (5S,6S,8R)-2-(1,3-benzothiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide, CALCIUM ION, ... (4 entities in total)
• Functional Keywords: kinase, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 71139.84

Authors

Shewchuk, L.M.,Convery, M.A. (deposition date: 2019-10-07, release date: 2019-12-04, Last modification date: 2023-10-11)

• 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 (2.68 Å)