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Structure paper

TitleDeconstructing fragment-based inhibitor discovery
Journal, issue, pagesNat. Chem. Biol., Vol. 2, Page 720-723, Year 2006
Publish dateJun 20, 2006 (structure data deposition date)
AuthorsBabaoglu, K. / Shoichet, B.K.
External linksNat. Chem. Biol. / PubMed:17072304
MethodsX-ray diffraction
Resolution1.16 - 2.2 Å
Structure data

PDB-2hdq:
AmpC beta-lactamase in complex with 2-carboxythiophene
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-2hdr:
AmpC beta-lactamase in complex with 4-Amino-3-hydroxybenzoic acid
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-2hds:
AmpC beta-lactamase in complex with 4-Methanesulfonylamino benzoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.16 Å

PDB-2hdu:
AmpC beta-lactamase in complex with 2-acetamidothiophene-3-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.49 Å

Chemicals

ChemComp-C21:
THIOPHENE-2-CARBOXYLIC ACID

ChemComp-HOH:
WATER

ChemComp-PO4:
PHOSPHATE ION

ChemComp-4A3:
4-AMINO-3-HYDROXYBENZOIC ACID

ChemComp-4MB:
4-[(METHYLSULFONYL)AMINO]BENZOIC ACID

ChemComp-NA:
Unknown entry

ChemComp-F12:
2-(ACETYLAMINO)THIOPHENE-3-CARBOXYLIC ACID

ChemComp-K:
Unknown entry

Source
  • escherichia coli k12 (bacteria)
KeywordsHYDROLASE / Fragment-based beta-lactamase AmpC drug design / AmpC fragment-based drug design beta-lactamase / AmpC beta-lactamase fragment-based drug design

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