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Structure paper

TitleUnfolded Protein Response in Cancer: IRE1 alpha Inhibition by Selective Kinase Ligands Does Not Impair Tumor Cell Viability.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 6, Page 68-72, Year 2015
Publish dateJul 29, 2014 (structure data deposition date)
AuthorsHarrington, P.E. / Biswas, K. / Malwitz, D. / Tasker, A.S. / Mohr, C. / Andrews, K.L. / Dellamaggiore, K. / Kendall, R. / Beckmann, H. / Jaeckel, P. ...Harrington, P.E. / Biswas, K. / Malwitz, D. / Tasker, A.S. / Mohr, C. / Andrews, K.L. / Dellamaggiore, K. / Kendall, R. / Beckmann, H. / Jaeckel, P. / Materna-Reichelt, S. / Allen, J.R. / Lipford, J.R.
External linksAcs Med. Chem. Lett. / PubMed:25589933
MethodsX-ray diffraction
Resolution2.23 - 2.5 Å
Structure data

PDB-4u6r:
Crystal structure of human IRE1 cytoplasmic domains in complex with a sulfonamide inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-4u79:
Crystal structure of human JNK3 in complex with a benzenesulfonamide inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 2.23 Å

Chemicals

ChemComp-3E4:
N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

ChemComp-HOH:
WATER

ChemComp-3EL:
N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Transferase / Kinase / Hydrolase / Endoribonuclease / TRANSFERASE-TRANSFERASE INHIBITOR complex

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