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TitleSelectivity, Co-Crystal Structures and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B.
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 9312-, Year 2012
Publish dateJun 25, 2012 (structure data deposition date)
AuthorsTahtouh, T. / Elkins, J.M. / Filippakopoulos, P. / Soundararajan, M. / Burgy, G. / Durieu, E. / Cochet, C. / Schmid, R.S. / Lo, D.C. / Delhommel, F. ...Tahtouh, T. / Elkins, J.M. / Filippakopoulos, P. / Soundararajan, M. / Burgy, G. / Durieu, E. / Cochet, C. / Schmid, R.S. / Lo, D.C. / Delhommel, F. / Oberholzer, A. / Laurence, P. / Carreaux, F. / Bazureau, J.P. / Knapp, S. / Meijer, L.
External linksJ. Med. Chem. / PubMed:22998443
MethodsX-ray diffraction
Resolution2 - 3.15 Å
Structure data

PDB-4aze:
Human DYRK1A in complex with Leucettine L41
Method: X-RAY DIFFRACTION / Resolution: 3.15 Å

PDB-4azf:
Human DYRK2 in complex with Leucettine L41
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

PDB-4b7t:
Glycogen Synthase Kinase 3 Beta complexed with Axin Peptide and Leucettine L4
Method: X-RAY DIFFRACTION / Resolution: 2.772 Å

PDB-4gw8:
Human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and Leucettine L41
Method: X-RAY DIFFRACTION / Resolution: 2.0 Å

Chemicals

ChemComp-3RA:
5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one

ChemComp-EDO:
1,2-ETHANEDIOL / Ethylene glycol

ChemComp-PO4:
PHOSPHATE ION / Phosphate

ChemComp-HOH:
WATER / Water

ChemComp-CWT:
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-(propan-2-ylamino)imidazol-4-one

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / TRANSFERASE/PEPTIDE / TRANSFERASE-PEPTIDE COMPLEX / INSULIN PATHWAY / WNT SIGNALING PATHWAY / INHIBITOR / ONCOGENE / KINASE / SERINE-THREONINE / PIM1 / STRUCTURAL GENOMICS CONSORTIUM / SGC / ALTERNATIVE INITIATION / ATP-BINDING / MANGANESE / MEMBRANE / METAL-BINDING / NUCLEOTIDE-BINDING / NUCLEUS / PHOSPHOPROTEIN / PROTO-ONCOGENE / SERINE/THREONINE-PROTEIN KINASE / HOST-VIRUS INTERACTION / VIRAL IMMUNOEVASION / VIRION / VIRULENCE / CELL CYCLE / CELL MEMBRANE

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