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TitleStructure-activity relationship of 6-methylidene penems bearing tricyclic heterocycles as broad-spectrum beta-lactamase inhibitors: crystallographic structures show unexpected binding of 1,4-thiazepine intermediates
Journal, issue, pagesJ. Med. Chem., Vol. 47, Page 6556-6568, Year 2004
Publish dateJul 25, 2003 (structure data deposition date)
AuthorsVenkatesan, A.M. / Gu, Y. / Dos Santos, O. / Abe, T. / Agarwal, A. / Yang, Y. / Petersen, P.J. / Weiss, W.J. / Mansour, T.S. / Nukaga, M. ...Venkatesan, A.M. / Gu, Y. / Dos Santos, O. / Abe, T. / Agarwal, A. / Yang, Y. / Petersen, P.J. / Weiss, W.J. / Mansour, T.S. / Nukaga, M. / Hujer, A. / Bonomo, R.A. / Knox, J.R.
External linksJ. Med. Chem. / PubMed:15588091
MethodsX-ray diffraction
Resolution1.4 - 2 Å
Structure data

PDB-1q2p:
SHV-1 class A beta-lactamase complexed with penem WAY185229
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-1q2q:
Enterobacter cloacae GC1 class C beta-lactamase complexed with penem WAY185229
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

Chemicals

ChemComp-MA4:
CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE

ChemComp-WY2:
(6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-3,6-DICARBOXYLIC ACID

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

Source
  • klebsiella pneumoniae (bacteria)
  • enterobacter cloacae (bacteria)
KeywordsHYDROLASE / inhibition / beta-lactam antibiotics / drug design

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