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Structure paper

TitleNew dual ATP-competitive inhibitors of bacterial DNA gyrase and topoisomerase IV active against ESKAPE pathogens.
Journal, issue, pagesEur. J. Med. Chem., Vol. 213, Page 113200-113200, Year 2021
Publish dateDec 27, 2019 (structure data deposition date)
AuthorsDurcik, M. / Nyerges, A. / Skok, Z. / Skledar, D.G. / Trontelj, J. / Zidar, N. / Ilas, J. / Zega, A. / Cruz, C.D. / Tammela, P. ...Durcik, M. / Nyerges, A. / Skok, Z. / Skledar, D.G. / Trontelj, J. / Zidar, N. / Ilas, J. / Zega, A. / Cruz, C.D. / Tammela, P. / Welin, M. / Kimbung, Y.R. / Focht, D. / Benek, O. / Revesz, T. / Draskovits, G. / Szili, P.E. / Daruka, L. / Pal, C. / Kikelj, D. / Masic, L.P. / Tomasic, T.
External linksEur. J. Med. Chem. / PubMed:33524686
MethodsX-ray diffraction
Resolution1.7 Å
Structure data

PDB-6ttg:
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with LMD62
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-NWK:
2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid

ChemComp-GOL:
GLYCEROL

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-CA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-IMD:
IMIDAZOLE

ChemComp-HOH:
WATER

Source
  • staphylococcus aureus (bacteria)
KeywordsISOMERASE / DNA GYRASE / GYRB

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