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Structure paper

TitleStructure-based drug design of novel ASK1 inhibitors using an integrated lead optimization strategy.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 27, Page 1709-1713, Year 2017
Publish dateMar 1, 2017 (structure data deposition date)
AuthorsGibson, T.S. / Johnson, B. / Fanjul, A. / Halkowycz, P. / Dougan, D.R. / Cole, D. / Swann, S.
External linksBioorg. Med. Chem. Lett. / PubMed:28291695
MethodsX-ray diffraction
Resolution2.5 - 3.1 Å
Structure data

PDB-5v19:
Structure-based drug design of novel ASK1 inhibitors using a fully integrated lead optimization strategy
Method: X-RAY DIFFRACTION / Resolution: 3.1 Å

PDB-5v24:
Structure-based drug design of novel ASK1 inhibitors using a fully integrated lead optimization strategy
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-8V4:
N-(1-ethyl-1H-pyrazol-4-yl)furan-3-carboxamide

ChemComp-HOH:
WATER

ChemComp-8V7:
2-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-N-(pyridin-2-yl)-1,3-thiazole-4-carboxamide

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

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