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TitleIdentification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
Journal, issue, pagesACS Med Chem Lett, Vol. 8, Page 1048-1053, Year 2017
Publish dateJun 15, 2017 (structure data deposition date)
AuthorsHe, X. / Da Ros, S. / Nelson, J. / Zhu, X. / Jiang, T. / Okram, B. / Jiang, S. / Michellys, P.Y. / Iskandar, M. / Espinola, S. ...He, X. / Da Ros, S. / Nelson, J. / Zhu, X. / Jiang, T. / Okram, B. / Jiang, S. / Michellys, P.Y. / Iskandar, M. / Espinola, S. / Jia, Y. / Bursulaya, B. / Kreusch, A. / Gao, M.Y. / Spraggon, G. / Baaten, J. / Clemmer, L. / Meeusen, S. / Huang, D. / Hill, R. / Nguyen-Tran, V. / Fathman, J. / Liu, B. / Tuntland, T. / Gordon, P. / Hollenbeck, T. / Ng, K. / Shi, J. / Bordone, L. / Liu, H.
External linksACS Med Chem Lett / PubMed:29057049
MethodsX-ray diffraction
Resolution2.85 - 2.89 Å
Structure data

PDB-5w5j:
Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases
Method: X-RAY DIFFRACTION / Resolution: 2.85 Å

PDB-5w5o:
Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases.
Method: X-RAY DIFFRACTION / Resolution: 2.89 Å

Chemicals

ChemComp-9WS:
N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-9XA:
4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Inhibitor / Complex / Kinase / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR complex / Transferase/Transferase Inhibitor / Tetartohedral winning / Transferase-Transferase Inhibitor complex

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