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Structure paper

TitleA Preclinical Candidate Targeting Mycobacterium tuberculosis KasA.
Journal, issue, pagesCell Chem Biol, Vol. 27, Page 560-, Year 2020
Publish dateJun 10, 2019 (structure data deposition date)
AuthorsInoyama, D. / Awasthi, D. / Capodagli, G.C. / Tsotetsi, K. / Sukheja, P. / Zimmerman, M. / Li, S.G. / Jadhav, R. / Russo, R. / Wang, X. ...Inoyama, D. / Awasthi, D. / Capodagli, G.C. / Tsotetsi, K. / Sukheja, P. / Zimmerman, M. / Li, S.G. / Jadhav, R. / Russo, R. / Wang, X. / Grady, C. / Richmann, T. / Shrestha, R. / Li, L. / Ahn, Y.M. / Ho Liang, H.P. / Mina, M. / Park, S. / Perlin, D.S. / Connell, N. / Dartois, V. / Alland, D. / Neiditch, M.B. / Kumar, P. / Freundlich, J.S.
External linksCell Chem Biol / PubMed:32197094
MethodsX-ray diffraction
Resolution1.703 - 2.305 Å
Structure data

PDB-6p9k:
Crystal structure of Mycobacterium tuberculosis KasA in complex with O6G
Method: X-RAY DIFFRACTION / Resolution: 1.703 Å

PDB-6p9l:
Crystal structure of Mycobacterium tuberculosis KasA in complex with JFX
Method: X-RAY DIFFRACTION / Resolution: 2.305 Å

PDB-6p9m:
Crystal structure of Mycobacterium tuberculosis KasA in complex with O6J
Method: X-RAY DIFFRACTION / Resolution: 2.256 Å

Chemicals

ChemComp-NA:
Unknown entry

ChemComp-IPA:
ISOPROPYL ALCOHOL / alkaloid*YM

ChemComp-GOL:
GLYCEROL

ChemComp-O6G:
N-(2-cyano-3-methyl-1H-indol-5-yl)butane-1-sulfonamide

ChemComp-HOH:
WATER

ChemComp-JFX:
4-fluoro-N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide

ChemComp-O6J:
N-(2-cyano-3-methyl-1H-indol-5-yl)pentane-1-sulfonamide

Source
  • mycobacterium tuberculosis (bacteria)
  • mycobacterium tuberculosis (strain atcc 25618 / h37rv) (bacteria)
KeywordsTRANSFERASE / BETA KETOACYL SYNTHASE I / LIPID SYNTHESIS / FATTY ACID BIOSYNTHESIS

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