6XDD
Crystal structure of IRE1 in complex with G-3053
Summary for 6XDD
Entry DOI | 10.2210/pdb6xdd/pdb |
Descriptor | Serine/threonine-protein kinase/endoribonuclease IRE1, 4-[(trans-4-aminocyclohexyl)amino]-N-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide (3 entities in total) |
Functional Keywords | kinase, rnase, inhibitor, transferase, transferase-inhibitor complex, transferase/inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 100824.98 |
Authors | Ackerly-Wallweber, H.,Wang, 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 Cited by PubMed: 33335661DOI: 10.1021/acsmedchemlett.0c00344 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.4 Å) |
Structure validation
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