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TitleCrystal structure of dihydroneopterin aldolase from Mycobacterium tuberculosis associated with 8-mercaptoguanine, and development of novel S8-functionalized analogues as inhibitors: Synthesis, enzyme inhibition, in vitro toxicity and antitubercular activity.
Journal, issue, pagesJ Enzyme Inhib Med Chem, Vol. 39, Page 2388207-2388207, Year 2024
Publish dateMar 15, 2024 (structure data deposition date)
AuthorsCzeczot, A.M. / Muniz, M.N. / Perello, M.A. / Silva, E.E.D. / Timmers, L.F.S.M. / Berger, A. / Gonzalez, L.C. / Arrache Goncalves, G. / Moura, S. / Machado, P. ...Czeczot, A.M. / Muniz, M.N. / Perello, M.A. / Silva, E.E.D. / Timmers, L.F.S.M. / Berger, A. / Gonzalez, L.C. / Arrache Goncalves, G. / Moura, S. / Machado, P. / Bizarro, C.V. / Basso, L.A.
External linksJ Enzyme Inhib Med Chem / PubMed:39140692
MethodsX-ray diffraction
Resolution1.95 Å
Structure data

PDB-9b2e:
DHNA associated with an inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-B55:
2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one

ChemComp-HOH:
WATER

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsLYASE / protein complex

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