6HV0

IRE1 kinase/RNase in complex with imidazo[1,2-b]pyridazin-8-amine compound 33

Summary for 6HV0

Entry DOI	10.2210/pdb6hv0/pdb
Descriptor	Serine/threonine-protein kinase/endoribonuclease IRE1, 6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine (3 entities in total)
Functional Keywords	unfolded protein response allosteric inhibitor, signaling protein
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	48082.60
Authors	Bayliss, R.,Bhatia, C.,Collins, I. (deposition date: 2018-10-09, release date: 2019-02-27, Last modification date: 2024-01-24)
Primary citation	Colombano, G.,Caldwell, J.J.,Matthews, T.P.,Bhatia, C.,Joshi, A.,McHardy, T.,Mok, N.Y.,Newbatt, Y.,Pickard, L.,Strover, J.,Hedayat, S.,Walton, M.I.,Myers, S.M.,Jones, A.M.,Saville, H.,McAndrew, C.,Burke, R.,Eccles, S.A.,Davies, F.E.,Bayliss, R.,Collins, I. Binding to an Unusual Inactive Kinase Conformation by Highly Selective Inhibitors of Inositol-Requiring Enzyme 1 alpha Kinase-Endoribonuclease. J.Med.Chem., 62:2447-2465, 2019 Cited by PubMed: 30779566 DOI: 10.1021/acs.jmedchem.8b01721 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.73 Å)

Structure validation