6URC

Crystal structure of IRE1a in complex with compound 18

Summary for 6URC

• Entry DOI: 10.2210/pdb6urc/pdb
• Descriptor: Serine/threonine-protein kinase/endoribonuclease IRE1, 2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide, GLYCEROL, ... (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: 100417.32

Authors

Wallweber, H.H.,Wang, W. (deposition date: 2019-10-23, release date: 2019-11-06, Last modification date: 2023-10-11)

• Primary citation: Harnoss, J.M.,Le Thomas, A.,Shemorry, A.,Marsters, S.A.,Lawrence, D.A.,Lu, M.,Chen, Y.A.,Qing, J.,Totpal, K.,Kan, D.,Segal, E.,Merchant, M.,Reichelt, M.,Ackerly Wallweber, H.,Wang, W.,Clark, K.,Kaufman, S.,Beresini, M.H.,Laing, S.T.,Sandoval, W.,Lorenzo, M.,Wu, J.,Ly, J.,De Bruyn, T.,Heidersbach, A.,Haley, B.,Gogineni, A.,Weimer, R.M.,Lee, D.,Braun, M.G.,Rudolph, J.,VanWyngarden, M.J.,Sherbenou, D.W.,Gomez-Bougie, P.,Amiot, M.,Acosta-Alvear, D.,Walter, P.,Ashkenazi, A.; Disruption of IRE1 alpha through its kinase domain attenuates multiple myeloma.; Proc. Natl. Acad. Sci. U.S.A., 116:16420-16429, 2019; PubMed: 31371506; DOI: 10.1073/pnas.1906999116

Experimental method

X-RAY DIFFRACTION (2.2 Å)