4FOB

Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 1

Summary for 4FOB

• Entry DOI: 10.2210/pdb4fob/pdb
• Related: 4FNW 4FNX 4FNY 4FNZ 4FOC 4FOD
• Descriptor: ALK tyrosine kinase receptor, N-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide (3 entities in total)
• Functional Keywords: receptor tyrosine kinase, inhibitor, crizotinib, neuroblastoma, cd246, phosphotransferase, npm-alk, eml4-alk, in situ proteolysis, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cell membrane; Single-pass type I membrane protein: Q9UM73
• Total number of polymer chains: 1
• Total formula weight: 40621.70

Authors

Whittington, D.A.,Epstein, L.F.,Chen, H. (deposition date: 2012-06-20, release date: 2012-07-11, Last modification date: 2024-02-28)

• Primary citation: Lewis, R.T.,Bode, C.M.,Choquette, D.M.,Potashman, M.,Romero, K.,Stellwagen, J.C.,Teffera, Y.,Moore, E.,Whittington, D.A.,Chen, H.,Epstein, L.F.,Emkey, R.,Andrews, P.S.,Yu, V.L.,Saffran, D.C.,Xu, M.,Drew, A.,Merkel, P.,Szilvassy, S.,Brake, R.L.; The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer.; J.Med.Chem., 55:6523-6540, 2012; PubMed: 22734674; DOI: 10.1021/jm3005866

Experimental method

X-RAY DIFFRACTION (1.9 Å)