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TitleExpanding the Landscape of Dual Action Antifolate Antibacterials through 2,4-Diamino-1,6-dihydro-1,3,5-triazines.
Journal, issue, pagesAcs Infect Dis., Vol. 11, Page 689-702, Year 2025
Publish dateAug 22, 2024 (structure data deposition date)
AuthorsGeorgiades, J.D. / Berkovich, D.A. / McKee, S.R. / Smith, A.R. / Sankaran, B. / Flentie, K.N. / Castaneda, C.H. / Grohmann, D.G. / Rohatgi, R. / Lasky, C. ...Georgiades, J.D. / Berkovich, D.A. / McKee, S.R. / Smith, A.R. / Sankaran, B. / Flentie, K.N. / Castaneda, C.H. / Grohmann, D.G. / Rohatgi, R. / Lasky, C. / Mason, T.A. / Champine, J.E. / Miller, P.A. / Mollmann, U. / Moraski, G.C. / Franzblau, S.G. / Miller, M.J. / Stallings, C.L. / Jez, J.M. / Hathaway, B.A. / Wencewicz, T.A.
External linksAcs Infect Dis. / PubMed:39950956
MethodsX-ray diffraction
Resolution2.17 - 2.35 Å
Structure data

PDB-9daq:
Structure of E. coli dihydrofolate reductase (DHFR) in an occluded conformation and in complex with a cycloguanil derivative
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-9dar:
Structure of E. coli dihydrofolate reductase (DHFR) in an occluded conformation and in complex with cycloguanil
Method: X-RAY DIFFRACTION / Resolution: 2.17 Å

Chemicals

PDB-1a3e:
COMPLEX OF HUMAN ALPHA-THROMBIN WITH THE BIFUNCTIONAL BORONATE INHIBITOR BOROLOG2

ChemComp-HOH:
WATER

ChemComp-1CY:
1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine / inhibitor, antagonist*YM

ChemComp-FLC:
CITRATE ANION

Source
  • escherichia coli (E. coli)
KeywordsOXIDOREDUCTASE / dihydrofolate reductase / occluded / cycloguanil / DHFR

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