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Structure paper

TitleDiscovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
Journal, issue, pagesJ. Med. Chem., Vol. 57, Page 2799-2806, Year 2014
Publish dateOct 19, 2013 (structure data deposition date)
AuthorsYin, Z. / Whittell, L.R. / Wang, Y. / Jergic, S. / Liu, M. / Harry, E.J. / Dixon, N.E. / Beck, J.L. / Kelso, M.J. / Oakley, A.J.
External linksJ. Med. Chem. / PubMed:24592885
MethodsX-ray diffraction
Resolution1.7 - 2.3 Å
Structure data

PDB-4n94:
E. coli sliding clamp in complex with 3,4-difluorobenzamide
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

PDB-4n95:
E. coli sliding clamp in complex with 5-chloroindoline-2,3-dione
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-4n96:
E. coli sliding clamp in complex with 6-nitroindazole
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-4n97:
E. coli sliding clamp in complex with 5-nitroindole
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

PDB-4n98:
E. coli sliding clamp in complex with 4'-fluorobiphenyl-4-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-4n99:
E. coli sliding clamp in complex with 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-4n9a:
E. coli sliding clamp in complex with (R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-2HO:
3,4-difluorobenzamide

ChemComp-CL:
Unknown entry

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-CA:
Unknown entry

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-2HQ:
5-chloro-1H-indole-2,3-dione

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-6NI:
6-NITROINDAZOLE

ChemComp-2HU:
5-nitro-1H-indole

ChemComp-4FC:
4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID

ChemComp-2J1:
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid

ChemComp-2J2:
(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid

Source
  • escherichia coli (E. coli)
KeywordsTRANSFERASE / sliding clamp / DnaN / TRANSFERASE/TRANSFERASE INHIBITOR / PolIII beta / TRANSFERASE-TRANSFERASE INHIBITOR complex

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