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Structure paper

TitleDiscovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 30, Page 127625-127625, Year 2020
Publish dateFeb 10, 2020 (structure data deposition date)
AuthorsBarberis, C. / Erdman, P. / Czekaj, M. / Fire, L. / Pribish, J. / Tserlin, E. / Maniar, S. / Batchelor, J.D. / Liu, J. / Patel, V.F. ...Barberis, C. / Erdman, P. / Czekaj, M. / Fire, L. / Pribish, J. / Tserlin, E. / Maniar, S. / Batchelor, J.D. / Liu, J. / Patel, V.F. / Hebert, A. / Levit, M. / Wang, A. / Sun, F. / Huang, S.A.
External linksBioorg. Med. Chem. Lett. / PubMed:33096160
MethodsX-ray diffraction
Resolution1.74 - 2.07 Å
Structure data

PDB-6vru:
PIM-inhibitor complex 1
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

PDB-6vrv:
Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model
Method: X-RAY DIFFRACTION / Resolution: 1.74 Å

Chemicals

ChemComp-IMD:
IMIDAZOLE

ChemComp-ROY:
3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

ChemComp-WFY:
4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide

ChemComp-GOL:
GLYCEROL

Source
  • homo sapiens (human)
KeywordsONCOPROTEIN / TRANSFERASE/INHIBITOR / Inhibitor / complex / TRANSFERASE-INHIBITOR complex / inhibitor complex

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