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Structure paper

TitleLong-Range Inhibitor-Induced Conformational Regulation of Human IRE1 alpha Endoribonuclease Activity.
Journal, issue, pagesMol. Pharmacol., Vol. 88, Page 1011-1023, Year 2015
Publish dateMar 24, 2015 (structure data deposition date)
AuthorsConcha, N.O. / Smallwood, A. / Bonnette, W. / Totoritis, R. / Zhang, G. / Federowicz, K. / Yang, J. / Qi, H. / Chen, S. / Campobasso, N. ...Concha, N.O. / Smallwood, A. / Bonnette, W. / Totoritis, R. / Zhang, G. / Federowicz, K. / Yang, J. / Qi, H. / Chen, S. / Campobasso, N. / Choudhry, A.E. / Shuster, L.E. / Evans, K.A. / Ralph, J. / Sweitzer, S. / Heerding, D.A. / Buser, C.A. / Su, D.S. / DeYoung, M.P.
External linksMol. Pharmacol. / PubMed:26438213
MethodsX-ray diffraction
Resolution2.463 - 3.102 Å
Structure data

PDB-4yz9:
Crystal Structure of human phosphorylated IRE1alpha in complex with a type III kinase inhibitor (GSK2850163A)
Method: X-RAY DIFFRACTION / Resolution: 2.463 Å

PDB-4yzc:
Crystal structure of pIRE1alpha in complex with staurosporine
Method: X-RAY DIFFRACTION / Resolution: 2.494 Å

PDB-4yzd:
Crystal Structure of human phosphorylated IRE1alpha in complex with ADP-Mg
Method: X-RAY DIFFRACTION / Resolution: 3.102 Å

Chemicals

ChemComp-4K7:
(5R)-2-(3,4-dichlorobenzyl)-N-(4-methylbenzyl)-2,7-diazaspiro[4.5]decane-7-carboxamide

ChemComp-HOH:
WATER

ChemComp-STU:
STAUROSPORINE / anticancer, antifungal, antibiotic, alkaloid*YM

ChemComp-MG:
Unknown entry

ChemComp-ADP:
ADENOSINE-5'-DIPHOSPHATE / ADP, energy-carrying molecule*YM

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / active / inhibitor / complex / IRE1 / TRANSFERASE-TRANSFERASE INHIBITOR complex / staurosporine / TRANSFERASE / ADP

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