6P8X

Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor.

Summary for 6P8X

• Entry DOI: 10.2210/pdb6p8x/pdb
• Related: 6P8W
• Descriptor: GTPase KRas, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... (5 entities in total)
• Functional Keywords: inhibitor, gtpase, signaling protein, signaling protein-inhibitor complex, signaling protein/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 4
• Total formula weight: 88377.62

Authors

Mohr, C. (deposition date: 2019-06-08, release date: 2019-08-28, Last modification date: 2019-10-02)

• Primary citation: Shin, Y.,Jeong, J.W.,Wurz, R.P.,Achanta, P.,Arvedson, T.,Bartberger, M.D.,Campuzano, I.D.G.,Fucini, R.,Hansen, S.K.,Ingersoll, J.,Iwig, J.S.,Lipford, J.R.,Ma, V.,Kopecky, D.J.,McCarter, J.,San Miguel, T.,Mohr, C.,Sabet, S.,Saiki, A.Y.,Sawayama, A.,Sethofer, S.,Tegley, C.M.,Volak, L.P.,Yang, K.,Lanman, B.A.,Erlanson, D.A.,Cee, V.J.; Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C.; Acs Med.Chem.Lett., 10:1302-1308, 2019; PubMed: 31531201; DOI: 10.1021/acsmedchemlett.9b00258

Experimental method

X-RAY DIFFRACTION (2.11 Å)