6W3K
Structure of unphosphorylated human IRE1 bound to G-9807
Summary for 6W3K
| Entry DOI | 10.2210/pdb6w3k/pdb |
| Descriptor | Serine/threonine-protein kinase/endoribonuclease IRE1, 4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one (3 entities in total) |
| Functional Keywords | kinase, inhibitor, allosteric activator, upr, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 1 |
| Total formula weight | 49985.90 |
| Authors | Lammens, A.,Wang, W.,Ferri, E.,Rudolph, J. (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 Cited by PubMed: 33318494DOI: 10.1038/s41467-020-19974-5 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.08 Å) |
Structure validation
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