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Structure paper

TitleStructure-Activity Relationships of New Cyanothiophene Inhibitors of the Essential Peptidoglycan Biosynthesis Enzyme Murf.
Journal, issue, pagesEur. J. Med. Chem., Vol. 66C, Page 32-, Year 2013
Publish dateFeb 5, 2013 (structure data deposition date)
AuthorsHrast, M. / Turk, S. / Sosic, I. / Knez, D. / Randall, C.P. / Barreteau, H. / Contreras-Martel, C. / Dessen, A. / O'Neill, A.J. / Mengin-Lecreulx, D. ...Hrast, M. / Turk, S. / Sosic, I. / Knez, D. / Randall, C.P. / Barreteau, H. / Contreras-Martel, C. / Dessen, A. / O'Neill, A.J. / Mengin-Lecreulx, D. / Blanot, D. / Gobec, S.
External linksEur. J. Med. Chem. / PubMed:23786712
MethodsX-ray diffraction
Resolution1.84 - 2.94 Å
Structure data

PDB-3zm5:
CRYSTAL STRUCTURE OF MURF LIGASE IN COMPLEX WITH CYANOTHIOPHENE INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 2.94 Å

PDB-3zm6:
CRYSTAL STRUCTURE OF MURF LIGASE IN COMPLEX WITH CYANOTHIOPHENE INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

Chemicals

ChemComp-IGM:
2,4-bis(chloranyl)-N-[3-cyano-6-[(4-hydroxyphenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-5-morpholin-4-ylsulfonyl-benzamide

ChemComp-HOH:
WATER

ChemComp-2GN:
N-(6-(4-(2h-tetrazol-5-yl)benzyl)-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,4-dichloro-5-(morpholinosulfonyl)benzamide

Source
  • streptococcus pneumoniae r6 (bacteria)
  • streptococcus pneumoniae (bacteria)
KeywordsLIGASE / PEPTIDOGLYCAN SYNTHESIS / ADP-FORMING ENZYME / CELL WALL / CELL SHAPE / CELL CYCLE / CELL DIVISON / NUCLEOTIDE-BINDING / ATP-BINDING

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