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Structure paper

TitleFirst X-ray cocrystal structure of a bacterial FabH condensing enzyme and a small molecule inhibitor achieved using rational design and homology modeling
Journal, issue, pagesJ. Med. Chem., Vol. 46, Page 5-8, Year 2003
Publish dateOct 9, 2002 (structure data deposition date)
AuthorsDaines, R.A. / Pendrak, I. / Sham, K. / Van Aller, G.S. / Konstantinidis, A.K. / Lonsdale, J.T. / Janson, C.A. / Qiu, X. / Brandt, M. / Khandekar, S.S. ...Daines, R.A. / Pendrak, I. / Sham, K. / Van Aller, G.S. / Konstantinidis, A.K. / Lonsdale, J.T. / Janson, C.A. / Qiu, X. / Brandt, M. / Khandekar, S.S. / Silverman, C. / Head, M.S.
External linksJ. Med. Chem. / PubMed:12502353
MethodsX-ray diffraction
Resolution2.1 Å
Structure data

PDB-1mzs:
CRYSTAL STRUCTURE OF BETA-KETOACYL-ACP SYNTHASE III WITH BOUND dichlorobenzyloxy-indole-carboxylic acid inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-669:
1-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)-1H-INDOLE-2-CARBOXYLIC ACID

ChemComp-HOH:
WATER

Source
  • escherichia coli (E. coli)
KeywordsTRANSFERASE / FABH

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