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TitleRepurposing Suzuki Coupling Reagents as a Directed Fragment Library Targeting Serine Hydrolases and Related Enzymes.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 5209-5215, Year 2017
Publish dateMar 7, 2016 (structure data deposition date)
AuthorsLanier, M. / Cole, D.C. / Istratiy, Y. / Klein, M.G. / Schwartz, P.A. / Tjhen, R. / Jennings, A. / Hixon, M.S.
External linksJ. Med. Chem. / PubMed:28564542
MethodsX-ray diffraction
Resolution1.84 Å
Structure data

PDB-5inh:
Crystal structure of Autotaxin/ENPP2 with a covalent fragment
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-ACT:
ACETATE ION

ChemComp-6C1:
{2-[(3-chlorophenyl)methoxy]phenyl}boronic acid

ChemComp-HOH:
WATER

Source
  • mus musculus (house mouse)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Inhibitor / HYDROLASE-HYDROLASE INHIBITOR complex

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