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Structure paper

TitleA 2.13 A Structure of E. coli Dihydrofolate Reductase Bound to a Novel Competitive Inhibitor Reveals a New Binding Surface Involving the M20 Loop Region
Journal, issue, pagesJ. Med. Chem., Vol. 49, Page 6977-6986, Year 2006
Publish dateAug 11, 2005 (structure data deposition date)
AuthorsSummerfield, R.L. / Daigle, D.M. / Mayer, S. / Mallik, D. / Hughes, D.W. / Jackson, S.G. / Sulek, M. / Organ, M.G. / Brown, E.D. / Junop, M.S.
External linksJ. Med. Chem. / PubMed:17125251
MethodsX-ray diffraction
Resolution2.13 - 2.68 Å
Structure data

PDB-2ano:
Crystal structure of E.coli dihydrofolate reductase in complex with NADPH and the inhibitor MS-SH08-17
Method: X-RAY DIFFRACTION / Resolution: 2.68 Å

PDB-2anq:
Crystal Structure of E.coli DHFR in complex with NADPH and the inhibitor compound 10a.
Method: X-RAY DIFFRACTION / Resolution: 2.13 Å

Chemicals

ChemComp-MN:
Unknown entry

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-817:
1-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}-3-TRIFLUOROMETHYL-BENZENE

ChemComp-HOH:
WATER

ChemComp-C1A:
(2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate)

Source
  • escherichia coli (E. coli)
KeywordsOXIDOREDUCTASE / DHFR / Protein inhibitor complex

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