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TitleDevelopment of Pyrimido Pyridazine Analogs through Increased Whole Cell Target Engagement of the Dihydropteroate Synthase Pterin Binding Site in Gram-Negative Bacteria.
Journal, issue, pagesAcs Infect Dis., Vol. 11, Page 3237-3250, Year 2025
Publish dateJun 16, 2025 (structure data deposition date)
AuthorsSnoke, H.E. / Reeve, S.M. / Dharuman, S. / Wallace, M.J. / Loudon, V.C. / Zhao, Y. / Bowling, J.J. / Murphy, P.A. / Waddell, B. / Lee, R.B. ...Snoke, H.E. / Reeve, S.M. / Dharuman, S. / Wallace, M.J. / Loudon, V.C. / Zhao, Y. / Bowling, J.J. / Murphy, P.A. / Waddell, B. / Lee, R.B. / Bulitta, J.B. / Lee, R.E.
External linksAcs Infect Dis. / PubMed:41116192
MethodsX-ray diffraction
Resolution2.141 - 3 Å
Structure data

PDB-9p4a:
E. coli Dihydropteroate Synthase in complex with pterin-based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3 Å

PDB-9p5i:
E. coli Dihydropteroate Synthase in complex with pterin-based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.141 Å

Chemicals

PDB-1cg3:
STRUCTURE OF THE MUTANT (R143L) OF ADENYLOSUCCINATE SYNTHETASE FROM E. COLI COMPLEXED WITH HADACIDIN, GDP, 6-PHOSPHORYL-IMP, AND MG2+

ChemComp-HOH:
WATER

PDB-1cg7:
HMG PROTEIN NHP6A FROM SACCHAROMYCES CEREVISIAE

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

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