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Structure paper

TitleDiscovery of 5-Azaindazole (GNE-955) as a Potent Pan-Pim Inhibitor with Optimized Bioavailability.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 4458-4473, Year 2017
Publish dateMar 21, 2017 (structure data deposition date)
AuthorsWang, X. / Kolesnikov, A. / Tay, S. / Chan, G. / Chao, Q. / Do, S. / Drummond, J. / Ebens, A.J. / Liu, N. / Ly, J. ...Wang, X. / Kolesnikov, A. / Tay, S. / Chan, G. / Chao, Q. / Do, S. / Drummond, J. / Ebens, A.J. / Liu, N. / Ly, J. / Harstad, E. / Hu, H. / Moffat, J. / Munugalavadla, V. / Murray, J. / Slaga, D. / Tsui, V. / Volgraf, M. / Wallweber, H. / Chang, J.H.
External linksJ. Med. Chem. / PubMed:28445037
MethodsX-ray diffraction
Resolution1.888 - 2.252 Å
Structure data

PDB-5v80:
PIM1 kinase in complex with Cpd1 (1-methyl-4-(3-(6-(piperazin-1-yl)pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one)
Method: X-RAY DIFFRACTION / Resolution: 2.252 Å

PDB-5v82:
PIM1 kinase in complex with Cpd17 (1-(6-(4,4-difluoropiperidin-3-yl)pyridin-2-yl)-6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridine)
Method: X-RAY DIFFRACTION / Resolution: 1.888 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-971:
1-methyl-4-{3-[6-(piperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl}piperazin-2-one

ChemComp-HOH:
WATER

ChemComp-96Y:
1-{6-[(3R)-4,4-difluoropiperidin-3-yl]pyridin-2-yl}-6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridine

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/INHIBITOR / PIM1 / SBDD / TRANSFERASE-INHIBITOR complex

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