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TitleStructure-Based Design of GNE-495, a Potent and Selective MAP4K4 Inhibitor with Efficacy in Retinal Angiogenesis.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 6, Page 913-918, Year 2015
Publish dateApr 29, 2015 (structure data deposition date)
AuthorsNdubaku, C.O. / Crawford, T.D. / Chen, H. / Boggs, J.W. / Drobnick, J. / Harris, S.F. / Jesudason, R. / McNamara, E. / Nonomiya, J. / Sambrone, A. ...Ndubaku, C.O. / Crawford, T.D. / Chen, H. / Boggs, J.W. / Drobnick, J. / Harris, S.F. / Jesudason, R. / McNamara, E. / Nonomiya, J. / Sambrone, A. / Schmidt, S. / Smyczek, T. / Vitorino, P. / Wang, L. / Wu, P. / Yeung, S. / Chen, J. / Chen, K. / Ding, C.Z. / Wang, T. / Xu, Z. / Gould, S.E. / Murray, L.J. / Ye, W.
External linksAcs Med. Chem. Lett. / PubMed:26288693
MethodsX-ray diffraction
Resolution2.89 Å
Structure data

PDB-4zk5:
MAP4K4 in complex with inhibitor GNE-495
Method: X-RAY DIFFRACTION / Resolution: 2.89 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-4P4:
8-amino-N-[1-(cyclopropylcarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTransferase/Transferase Inhibitor / kinase / Transferase-Transferase Inhibitor complex

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