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TitleIn Silico Screen and Structural Analysis Identifies Bacterial Kinase Inhibitors which Act with beta-Lactams To Inhibit Mycobacterial Growth.
Journal, issue, pagesMol. Pharm., Vol. 15, Page 5410-5426, Year 2018
Publish dateDec 15, 2016 (structure data deposition date)
AuthorsWlodarchak, N. / Teachout, N. / Beczkiewicz, J. / Procknow, R. / Schaenzer, A.J. / Satyshur, K. / Pavelka, M. / Zuercher, W. / Drewry, D. / Sauer, J.D. / Striker, R.
External linksMol. Pharm. / PubMed:30285456
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-5u94:
Crystal structure of the Mycobacterium tuberculosis PASTA kinase PknB in complex with the potential theraputic kinase inhibitor GSK690693.
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-G93:
4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3

ChemComp-GOL:
GLYCEROL

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

Source
  • mycobacterium tuberculosis (strain atcc 25618 / h37rv) (bacteria)
KeywordsTransferase/Transferase Inhibitor / Kinase / inhibitor / transferase / Transferase-Transferase Inhibitor complex

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