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TitleCosolvent Sites-Based Discovery of Mycobacterium Tuberculosis Protein Kinase G Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 9691-9705, Year 2022
Publish dateNov 2, 2021 (structure data deposition date)
AuthorsBurastero, O. / Defelipe, L.A. / Gola, G. / Tateosian, N.L. / Lopez, E.D. / Martinena, C.B. / Arcon, J.P. / Traian, M.D. / Wetzler, D.E. / Bento, I. ...Burastero, O. / Defelipe, L.A. / Gola, G. / Tateosian, N.L. / Lopez, E.D. / Martinena, C.B. / Arcon, J.P. / Traian, M.D. / Wetzler, D.E. / Bento, I. / Barril, X. / Ramirez, J. / Marti, M.A. / Garcia-Alai, M.M. / Turjanski, A.G.
External linksJ. Med. Chem. / PubMed:35737472
MethodsX-ray diffraction
Resolution2.35 Å
Structure data

PDB-7q52:
Crystal structure of S/T protein kinase PknG from Mycobacterium tuberculosis in complex with inhibitor L2W
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

Chemicals

ChemComp-FE:
Unknown entry

ChemComp-8ZC:
2-azanyl-3-(4-fluorophenyl)carbonyl-indolizine-1-carboxamide

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

Source
  • mycobacterium tuberculosis (strain atcc 25618 / h37rv) (bacteria)
KeywordsTRANSFERASE / Tuberculosis / inhibitor / L2W

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