6W39

Structure of unphosphorylated IRE1 in complex with G-1749

Summary for 6W39

• Entry DOI: 10.2210/pdb6w39/pdb
• Descriptor: Serine/threonine-protein kinase/endoribonuclease IRE1, ethyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate (3 entities in total)
• Functional Keywords: kinase, upr, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 99603.68

Authors

Ferri, E.,Wang, W.,Joachim, R.,Mortara, K. (deposition date: 2020-03-09, release date: 2020-12-09, Last modification date: 2023-10-18)

• Primary citation: Ferri, E.,Le Thomas, A.,Wallweber, H.A.,Day, E.S.,Walters, B.T.,Kaufman, S.E.,Braun, M.G.,Clark, K.R.,Beresini, M.H.,Mortara, K.,Chen, Y.A.,Canter, B.,Phung, W.,Liu, P.S.,Lammens, A.,Ashkenazi, A.,Rudolph, J.,Wang, W.; Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.; Nat Commun, 11:6387-6387, 2020; PubMed: 33318494; DOI: 10.1038/s41467-020-19974-5

Experimental method

X-RAY DIFFRACTION (1.736 Å)