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Structure paper

TitleDe Novo Fragment Design for Drug Discovery and Chemical Biology.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 54, Page 15079-, Year 2015
Publish dateJun 30, 2015 (structure data deposition date)
AuthorsRodrigues, T. / Reker, D. / Welin, M. / Caldera, M. / Brunner, C. / Gabernet, G. / Schneider, P. / Walse, B. / Schneider, G.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:26486226
MethodsX-ray diffraction
Resolution1.6 - 1.7 Å
Structure data

PDB-5a6n:
Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with compound 2
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-5a6o:
Crystal structure of the apo form of the unphosphorylated human death associated protein kinase 3 (DAPK3)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-U7E:
5-(3-SULFAMOYLPHENYL)-1H-1,2,3,4-TETRAZOL-1-IDE

ChemComp-GOL:
GLYCEROL

ChemComp-PGO:
S-1,2-PROPANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / DAPK3 / HUMAN DEATH ASSOCIATED PROTEIN KINASE 3 / DAP-LIKE KINASE / DLK / ZIPPER-INTERACTING PROTEIN KINASE / ZIP-KINASE / APO / DEATH-ASSOCIATED PROTEIN KINASE 3

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