4U6R

Crystal structure of human IRE1 cytoplasmic domains in complex with a sulfonamide inhibitor.

Summary for 4U6R

Entry DOI	10.2210/pdb4u6r/pdb
Related	4U79
Descriptor	Serine/threonine-protein kinase/endoribonuclease IRE1, N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide, SULFATE ION, ... (6 entities in total)
Functional Keywords	transferase, kinase, hydrolase, endoribonuclease, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Cellular location	Endoplasmic reticulum membrane ; Single-pass type I membrane protein : O75460
Total number of polymer chains	1
Total formula weight	53770.46
Authors	Mohr, C. (deposition date: 2014-07-29, release date: 2014-10-08, Last modification date: 2023-09-27)
Primary citation	Harrington, P.E.,Biswas, K.,Malwitz, D.,Tasker, A.S.,Mohr, C.,Andrews, K.L.,Dellamaggiore, K.,Kendall, R.,Beckmann, H.,Jaeckel, P.,Materna-Reichelt, S.,Allen, J.R.,Lipford, J.R. Unfolded Protein Response in Cancer: IRE1 alpha Inhibition by Selective Kinase Ligands Does Not Impair Tumor Cell Viability. Acs Med.Chem.Lett., 6:68-72, 2015 Cited by PubMed: 25589933 DOI: 10.1021/ml500315b PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.5 Å)

Structure validation