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TitleStructure-Guided Design of Novel Thiazolidine Inhibitors of O-Acetyl Serine Sulfhydrylase from Mycobacterium Tuberculosis.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 6457-, Year 2013
Publish dateDec 5, 2012 (structure data deposition date)
AuthorsPoyraz, O. / Jeankumar, V.U. / Saxena, S. / Schnell, R. / Haraldsson, M. / Yogeeswari, P. / Sriram, D. / Schneider, G.
External linksJ. Med. Chem. / PubMed:23879381
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-3zei:
Structure of the Mycobacterium tuberculosis O-Acetylserine Sulfhydrylase (OASS) CysK1 in complex with a small molecule inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-PLP:
PYRIDOXAL-5'-PHOSPHATE

ChemComp-AWH:
3-[(Z)-[(5Z)-5-[[2-(2-hydroxy-2-oxoethyloxy)phenyl]methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-HOH:
WATER

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsHYDROLASE / INHIBITOR

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