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TitleSynthesis and evaluation of acyl-AMP phosphate isosteres as inhibitors of fungal acetyl CoA synthetase.
Journal, issue, pagesBioorg. Med. Chem. Lett., Page 130389-130389, Year 2025
Publish dateFeb 26, 2016 (structure data deposition date)
AuthorsDaraji, D.G. / Jezewski, A.J. / Alden, K.M. / Propp, J.P. / Heene, M.E. / Soldan, C.A. / Liu, L. / Battaile, K.P. / Lovell, S. / Staker, B.L. ...Daraji, D.G. / Jezewski, A.J. / Alden, K.M. / Propp, J.P. / Heene, M.E. / Soldan, C.A. / Liu, L. / Battaile, K.P. / Lovell, S. / Staker, B.L. / Krysan, D.J. / Hagen, T.J.
External linksBioorg. Med. Chem. Lett. / PubMed:40885291
MethodsX-ray diffraction
Resolution1.95 - 2.5 Å
Structure data

PDB-5ifi:
CRYSTAL STRUCTURE OF ACETYL-COA SYNTHETASE IN COMPLEX WITH ADENOSINE-5'-PROPYLPHOSPHATE FROM CRYPTOCOCCUS NEOFORMANS H99
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-8v5g:
Crystal Structure of Acetyl-CoA synthetase from Cryptococcus neoformans H99 in complex with an ethylsulfamide AMP inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-PRX:
ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PO4:
PHOSPHATE ION

ChemComp-HOH:
WATER

ChemComp-YDO:
5'-deoxy-5'-(ethylsulfamamido)adenosine

ChemComp-CL:
Unknown entry

Source
  • cryptococcus neoformans var. grubii serotype a (strain h99 / atcc 208821 / cbs 10515 / fgsc 9487) (fungus)
  • cryptococcus neoformans var. grubii (Cryptococcus neoformans serotype A)
KeywordsLIGASE / SSGCID / NIH / NIAID / SBRI / UW / BERYLLIUM / SYNTHETASE / ACS1 / PRX / PROPYL-AMP / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease / Acetyl-coenzyme A synthetase 2

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