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Structure paper

TitleDiscovery and profiling of a selective and efficacious syk inhibitor.
Journal, issue, pagesJ. Med. Chem., Vol. 58, Page 1950-1963, Year 2015
Publish dateDec 9, 2014 (structure data deposition date)
AuthorsThoma, G. / Smith, A.B. / van Eis, M.J. / Vangrevelinghe, E. / Blanz, J. / Aichholz, R. / Littlewood-Evans, A. / Lee, C.C. / Liu, H. / Zerwes, H.G.
External linksJ. Med. Chem. / PubMed:25633741
MethodsX-ray diffraction
Resolution1.59 - 1.8 Å
Structure data

PDB-4rx7:
SYK Catalytic Domain Complexed with a Potent Triazine Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-4rx8:
SYK Catalytic Domain Complexed with a Potent Triazine Inhibitor2
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

PDB-4rx9:
SYK Catalytic Domain Complexed with a Potent Pyrimidine Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

Chemicals

ChemComp-FMT:
FORMIC ACID

ChemComp-GOL:
GLYCEROL

ChemComp-3YV:
3-{[(1R,2S)-2-aminocyclohexyl]amino}-5-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}-1,2,4-triazine-6-carboxamide

ChemComp-HOH:
WATER

ChemComp-3YX:
3-{[(1R,2S)-2-aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)-1,2,4-triazine-6-carboxamide

ChemComp-3YT:
2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / TRANSFERASE-TRANSFERASE INHIBITOR complex

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