6XDD

Crystal structure of IRE1 in complex with G-3053

Summary for 6XDD

Entry DOI	10.2210/pdb6xdd/pdb
Descriptor	Serine/threonine-protein kinase/endoribonuclease IRE1, 4-[(trans-4-aminocyclohexyl)amino]-N-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide (3 entities in total)
Functional Keywords	kinase, rnase, inhibitor, transferase, transferase-inhibitor complex, transferase/inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	100824.98
Authors	Ackerly-Wallweber, H.,Wang, W. (deposition date: 2020-06-10, release date: 2021-04-21, Last modification date: 2023-10-18)
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 (2.4 Å)

Structure validation