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Structure paper

TitleSmall Molecule Microarray Based Discovery of PARP14 Inhibitors.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 56, Page 248-253, Year 2017
Publish dateSep 22, 2016 (structure data deposition date)
AuthorsPeng, B. / Thorsell, A.G. / Karlberg, T. / Schuler, H. / Yao, S.Q.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:27918638
MethodsX-ray diffraction
Resolution2.07 - 2.17 Å
Structure data

PDB-5lxp:
Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor H5
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

PDB-5lyh:
Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor H10
Method: X-RAY DIFFRACTION / Resolution: 2.17 Å

Chemicals

ChemComp-7AG:
~{N}'-(3-aminocarbonylphenyl)-~{N}-[[1-[(2~{R})-2-phenylpropyl]-1,2,3-triazol-4-yl]methyl]pentanediamide

ChemComp-HOH:
WATER

ChemComp-7B8:
3-[2-[4-[2-[[4-[(3-aminocarbonylphenyl)amino]-4-oxidanylidene-butanoyl]amino]ethyl]-1,2,3-triazol-1-yl]ethylsulfamoyl]benzoic acid

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / ADP-ribosylation / Inhibitor complex / Transferase domain

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