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Structure paper

TitleIdentification of PotentIn VivoAutotaxin Inhibitors that Bind to Both Hydrophobic Pockets and Channels in the Catalytic Domain.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 3188-3204, Year 2020
Publish dateNov 25, 2019 (structure data deposition date)
AuthorsKawaguchi, M. / Okabe, T. / Okudaira, S. / Hama, K. / Kano, K. / Nishimasu, H. / Nakagawa, H. / Ishitani, R. / Kojima, H. / Nureki, O. ...Kawaguchi, M. / Okabe, T. / Okudaira, S. / Hama, K. / Kano, K. / Nishimasu, H. / Nakagawa, H. / Ishitani, R. / Kojima, H. / Nureki, O. / Aoki, J. / Nagano, T.
External linksJ. Med. Chem. / PubMed:32134652
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-6leh:
Crystal structure of Autotaxin in complex with an inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-NA:
Unknown entry

ChemComp-K:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-CL:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-EAR:
ethyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxidanylidene-imidazo[1,2-a]pyrimidin-8-yl]ethanoate

ChemComp-HOH:
WATER

Source
  • mus musculus (house mouse)
KeywordsHYDROLASE

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