6XDB

Crystal structure of IRE1a in complex with G-6904

Summary for 6XDB

• Entry DOI: 10.2210/pdb6xdb/pdb
• Descriptor: Serine/threonine-protein kinase/endoribonuclease IRE1, 4-amino-N-(6-chloro-2-fluoro-3-{[(2-fluorophenyl)sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1H-pyrazol-4-yl)quinazoline-8-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... (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: 1
• Total formula weight: 50382.81

Authors

Wallweber, H.A.,Weiru, 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; PubMed: 33335661; DOI: 10.1021/acsmedchemlett.0c00344

Experimental method

X-RAY DIFFRACTION (2.45 Å)