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TitleTarget-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis.
Journal, issue, pagesChem. Biol., Vol. 22, Page 76-86, Year 2015
Publish dateAug 13, 2014 (structure data deposition date)
AuthorsPark, S.W. / Casalena, D.E. / Wilson, D.J. / Dai, R. / Nag, P.P. / Liu, F. / Boyce, J.P. / Bittker, J.A. / Schreiber, S.L. / Finzel, B.C. ...Park, S.W. / Casalena, D.E. / Wilson, D.J. / Dai, R. / Nag, P.P. / Liu, F. / Boyce, J.P. / Bittker, J.A. / Schreiber, S.L. / Finzel, B.C. / Schnappinger, D. / Aldrich, C.C.
External linksChem. Biol. / PubMed:25556942
MethodsX-ray diffraction
Resolution1.8 - 2.24 Å
Structure data

PDB-4w1v:
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a thiazole inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.24 Å

PDB-4w1w:
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 7-(diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-4w1x:
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 1-(4-(4-(3-chlorobenzoyl)piperazin-1-yl)phenyl)ethanone
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-PLP:
PYRIDOXAL-5'-PHOSPHATE

ChemComp-3GS:
dimethyl (2R)-5-(3-fluorophenyl)-1H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate 2-oxide

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-3G8:
7-(diethylamino)-3-(thiophen-2-ylcarbonyl)-2H-chromen-2-one

ChemComp-3G9:
1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone

Source
  • mycobacterium tuberculosis (bacteria)
Keywordstransferase/transferase inhibitor / Inhibitor Complex Transaminase PLP / transferase-transferase inhibitor complex

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