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Structure paper

TitleStructure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation.
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 852-870, Year 2012
Publish dateDec 2, 2011 (structure data deposition date)
AuthorsChoi, J.Y. / Plummer, M.S. / Starr, J. / Desbonnet, C.R. / Soutter, H. / Chang, J. / Miller, J.R. / Dillman, K. / Miller, A.A. / Roush, W.R.
External linksJ. Med. Chem. / PubMed:22243413
MethodsX-ray diffraction
Resolution1.7 - 1.95 Å
Structure data

PDB-3uwk:
Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation
Method: X-RAY DIFFRACTION / Resolution: 1.91 Å

PDB-3uwo:
Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-3uxm:
Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-0DF:
1-methyl-6-phenyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-0DJ:
3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamide

ChemComp-0DN:
5'-deoxy-5'-fluorothymidine

Source
  • pseudomonas aeruginosa (bacteria)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Thymidylate kinase / kinase / thymidine triphosphate / TRANSFERASE-TRANSFERASE INHIBITOR complex

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