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Structure paper

TitleCellular and biochemical validation of a potent PAICS inhibitor
Journal, issue, pagesTo Be Published
Publish dateOct 6, 2020 (structure data deposition date)
AuthorsMarttila, P. / Skerlova, J. / Unterlass, J. / Jemth, A.-S. / Henriksson, M. / Wakchaure, P. / Grube, M. / Warpman Berglund, U. / Homan, E. / Stenmark, P. / Helleday, T.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.95 Å
Structure data

PDB-7ale:
Crystal structure of human PAICS in complex with inhibitor 69
Method: X-RAY DIFFRACTION / Resolution: 2.95 Å

Chemicals

ChemComp-RLK:
2-azanyl-~{N}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide

ChemComp-OK8:
(2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car

Source
  • homo sapiens (human)
KeywordsLIGASE / De novo purine biosynthesis / nucleotide metabolism / cancer target / rational drug design

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