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TitleStructural Insights into the Inhibition of Undecaprenyl Pyrophosphate Synthase from Gram-Positive Bacteria.
Journal, issue, pagesJ. Med. Chem., Vol. 64, Page 13540-13550, Year 2021
Publish dateJul 29, 2020 (structure data deposition date)
AuthorsWorkman, S.D. / Day, J. / Farha, M.A. / El Zahed, S.S. / Bon, C. / Brown, E.D. / Organ, M.G. / Strynadka, N.C.J.
External linksJ. Med. Chem. / PubMed:34473495
MethodsX-ray diffraction
Resolution1.8 - 3.1 Å
Structure data

PDB-7jli:
Crystal structure of Bacillus subtilis UppS
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-7jlj:
Crystal structure of Bacillus subtilis UppS in complex with clomiphene
Method: X-RAY DIFFRACTION / Resolution: 3.1 Å

PDB-7jlm:
Crystal structure of Bacillus subtilis UppS in complex with MAC-0547630
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-7jlr:
Crystal structure of Bacillus subtilis UppS in complex with JPD447
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-HOH:
WATER

ChemComp-53Q:
Clomifene

ChemComp-CIT:
CITRIC ACID

ChemComp-V07:
7-(azepan-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine

ChemComp-V0D:
7-(azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine

Source
  • bacillus subtilis (bacteria)
KeywordsTRANSFERASE / undecaprenyl / cis-prenyltransferase / carrier lipid / clomiphene / MAC-0547630 / JPD447

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