6XDF

Crystal structure of IRE1a in complex with G-4100

Summary for 6XDF

Entry DOI	10.2210/pdb6xdf/pdb
Descriptor	Serine/threonine-protein kinase/endoribonuclease IRE1, SODIUM ION, 4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide, ... (4 entities in total)
Functional Keywords	kinase, rnase, inhibitor, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	99117.41
Authors	Steinbacher, S.,Wang, W. (deposition date: 2020-06-10, release date: 2021-04-21, Last modification date: 2024-03-06)
Primary citation	Beveridge, R.E.,Wallweber, H.A.,Ashkenazi, A.,Beresini, M.,Clark, K.R.,Gibbons, P.,Ghiro, E.,Kaufman, S.,Larivee, A.,Leblanc, M.,Leclerc, J.P.,Lemire, A.,Ly, C.,Rudolph, J.,Schwarz, J.B.,Srivastava, S.,Wang, W.,Zhao, L.,Braun, M.G. Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity. Acs Med.Chem.Lett., 11:2389-2396, 2020 Cited by PubMed: 33335661 DOI: 10.1021/acsmedchemlett.0c00344 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.54 Å)

Structure validation