4PL3

Crystal structure of murine IRE1 in complex with MKC9989 inhibitor

Summary for 4PL3

Entry DOI	10.2210/pdb4pl3/pdb
Related	4PL4 4PL5
Descriptor	Serine/threonine-protein kinase/endoribonuclease IRE1, 7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2H-chromen-2-one, ADENOSINE-5'-DIPHOSPHATE, ... (4 entities in total)
Functional Keywords	schiff base, hydroxy aryl aldehydes (haa), inhibitor complex, unfolded protein response, endoribonuclease, transferase, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological source	Mus musculus (Mouse)
Total number of polymer chains	2
Total formula weight	102210.48
Authors	Sanches, M.,Duffy, N.,Talukdar, M.,Thevakumaran, N.,Chiovitti, D.,Al-awar, R.,Patterson, J.B.,Sicheri, F. (deposition date: 2014-05-16, release date: 2014-09-03, Last modification date: 2023-09-27)
Primary citation	Sanches, M.,Duffy, N.M.,Talukdar, M.,Thevakumaran, N.,Chiovitti, D.,Canny, M.D.,Lee, K.,Kurinov, I.,Uehling, D.,Al-Awar, R.,Poda, G.,Prakesch, M.,Wilson, B.,Tam, V.,Schweitzer, C.,Toro, A.,Lucas, J.L.,Vuga, D.,Lehmann, L.,Durocher, D.,Zeng, Q.,Patterson, J.B.,Sicheri, F. Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors. Nat Commun, 5:4202-4202, 2014 Cited by PubMed: 25164867 DOI: 10.1038/ncomms5202 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.9 Å)

Structure validation