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Structure paper

TitleRational evolution of a novel type of potent and selective proviral integration site in Moloney murine leukemia virus kinase 1 (PIM1) inhibitor from a screening-hit compound.
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 5151-5164, Year 2012
Publish dateNov 14, 2011 (structure data deposition date)
AuthorsNakano, H. / Saito, N. / Parker, L.J. / Tada, Y. / Abe, M. / Tsuganezawa, K. / Yokoyama, S. / Tanaka, A. / Kojima, H. / Okabe, T. / Nagano, T.
External linksJ. Med. Chem. / PubMed:22540945
MethodsX-ray diffraction
Resolution2.08 Å
Structure data

PDB-3umw:
Crystal structure of Pim1 kinase in complex with inhibitor (Z)-2-[(1H-indazol-3-yl)methylene]-6-methoxy-7-(piperazin-1-ylmethyl)benzofuran-3(2H)-one
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-596:
(2Z)-2-(1H-indazol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3(2H)-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/INHIBITOR / PIM1 / kinase inhibitor / rational drug design / leukemia / TRANSFERASE-INHIBITOR complex

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