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Structure paper

Title7,8-dichloro-1-oxo-beta-carbolines as a versatile scaffold for the development of potent and selective kinase inhibitors with unusual binding modes.
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 403-413, Year 2012
Publish dateNov 29, 2007 (structure data deposition date)
AuthorsHuber, K. / Brault, L. / Fedorov, O. / Gasser, C. / Filippakopoulos, P. / Bullock, A.N. / Fabbro, D. / Trappe, J. / Schwaller, J. / Knapp, S. / Bracher, F.
External linksJ. Med. Chem. / PubMed:22136433
MethodsX-ray diffraction
Resolution1.24 - 2.1 Å
Structure data

PDB-3bhy:
Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with a beta-carboline ligand
Method: X-RAY DIFFRACTION / Resolution: 1.24 Å

PDB-3cxw:
Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a beta carboline ligand I
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-3cy2:
Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a beta carboline ligand II
Method: X-RAY DIFFRACTION / Resolution: 2.01 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-7CP:
(4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile

ChemComp-HOH:
WATER

ChemComp-MB9:
(4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Death Associated Kinase / DAPK3 / ZIP kinase / ZIPK / DAP kinase 3 / DAP like kinase / Dlk / Structural Genomics Consortium / SGC / Apoptosis / ATP-binding / Chromatin regulator / Nucleotide-binding / Nucleus / Serine/threonine-protein kinase / oncogene / kinase / serine-threonine / PIM1 / Alternative initiation / Manganese / Membrane / Metal-binding / Phosphoprotein / Proto-oncogene / Host-virus interaction / Viral immunoevasion / Virion / Virulence

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