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Structure paper

TitleDocking study yields four novel inhibitors of the protooncogene pim-1 kinase.
Journal, issue, pagesJ. Med. Chem., Vol. 51, Page 1972-1975, Year 2008
Publish dateNov 27, 2007 (structure data deposition date)
AuthorsPierce, A.C. / Jacobs, M. / Stuver-Moody, C.
External linksJ. Med. Chem. / PubMed:18290603
MethodsX-ray diffraction
Resolution2 - 2.8 Å
Structure data

PDB-3bgp:
Human Pim-1 complexed with a benzoisoxazole inhibitor VX1
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-3bgq:
Human Pim-1 kinase in complex with an triazolo pyridazine inhibitor VX2
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3bgz:
Human Pim-1 kinase in complex with diphenyl indole inhibitor VX3
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-VX1:
4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine

ChemComp-HOH:
WATER

ChemComp-VX2:
N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine

ChemComp-VX3:
2,3-diphenyl-1H-indole-7-carboxylic acid

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / kinase inhibitor phosphorylation / Alternative initiation / ATP-binding / Cytoplasm / Manganese / Membrane / Metal-binding / Nucleotide-binding / Nucleus / Phosphoprotein / Proto-oncogene / Serine/threonine-protein kinase

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