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TitleThermodynamic cycle analysis and inhibitor design against beta-lactamase.
Journal, issue, pagesBiochemistry, Vol. 42, Page 14483-14491, Year 2003
Publish dateMay 29, 2003 (structure data deposition date)
AuthorsRoth, T.A. / Minasov, G. / Morandi, S. / Prati, F. / Shoichet, B.K.
External linksBiochemistry / PubMed:14661960
MethodsX-ray diffraction
Resolution1.39 - 1.49 Å
Structure data

PDB-1pi4:
Structure of N289A mutant of AmpC in complex with SM3, a phenylglyclboronic acid bearing the cephalothin R1 side chain
Method: X-RAY DIFFRACTION / Resolution: 1.39 Å

PDB-1pi5:
Structure of N289A mutant of AmpC in complex with SM2, carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain
Method: X-RAY DIFFRACTION / Resolution: 1.49 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-K:
Unknown entry

ChemComp-SM3:
(1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID

ChemComp-HOH:
WATER

ChemComp-SM2:
(1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID

Source
  • escherichia coli (E. coli)
KeywordsHYDROLASE / Enzyme Inhibitor Complex / Beta-Lactamase

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