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Structure paper

TitleStructure-based approach for binding site identification on AmpC beta-lactamase.
Journal, issue, pagesJ. Med. Chem., Vol. 45, Page 3222-3234, Year 2002
Publish dateNov 13, 2001 (structure data deposition date)
AuthorsPowers, R.A. / Shoichet, B.K.
External linksJ. Med. Chem. / PubMed:12109906
MethodsX-ray diffraction
Resolution1.72 - 2.3 Å
Structure data

PDB-1kds:
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 3-nitrophenylboronic acid
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-1kdw:
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 4-carboxyphenylboronic acid
Method: X-RAY DIFFRACTION / Resolution: 2.28 Å

PDB-1ke0:
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 4-(carboxyvin-2-yl)phenylboronic acid
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-1ke3:
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 4,4'-biphenyldiboronic acid
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-1ke4:
X-ray crystal structure of AmpC beta-lactamase from E. coli
Method: X-RAY DIFFRACTION / Resolution: 1.72 Å

Chemicals

ChemComp-NPB:
3-NITROPHENYLBORONIC ACID

ChemComp-HOH:
WATER

ChemComp-PO4:
PHOSPHATE ION

ChemComp-4CB:
4-CARBOXYPHENYLBORONIC ACID

ChemComp-CVB:
4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID

ChemComp-BDB:
4,4'-BIPHENYLDIBORONIC ACID

Source
  • escherichia coli (E. coli)
KeywordsHYDROLASE / cephalosporinase / beta-lactamase / serine hydrolase / phenylboronic acid inhibitor complex / phenylboronic acid inhibitor / phenylboronic acid

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