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Structure paper

TitleIdentification of allosteric ERK2 inhibitors through in silico biased screening and competitive binding assay
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 26, Page 955-958, Year 2016
Publish dateJul 14, 2015 (structure data deposition date)
AuthorsKinoshita, T. / Sugiyama, H. / Mori, Y. / Takahashi, N. / Tomonaga, A.
External linksBioorg. Med. Chem. Lett. / PubMed:26733474
MethodsX-ray diffraction
Resolution2.984 Å
Structure data

PDB-5ax3:
Crystal structure of ERK2 complexed with allosteric and ATP-competitive inhibitors.
Method: X-RAY DIFFRACTION / Resolution: 2.984 Å

Chemicals

ChemComp-5ID:
(2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL

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

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