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Structure paper

TitleDxr Inhibition by Potent Mono- and Disubstituted Fosmidomycin Analogues.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 6190-, Year 2013
Publish dateDec 30, 2012 (structure data deposition date)
AuthorsJansson, A.M. / Wieckowska, A. / Bjorkelid, C. / Yahiaoui, S. / Sooriyaarachchi, S. / Lindh, M. / Bergfors, T. / Dharavath, S. / Desroses, M. / Suresh, S. ...Jansson, A.M. / Wieckowska, A. / Bjorkelid, C. / Yahiaoui, S. / Sooriyaarachchi, S. / Lindh, M. / Bergfors, T. / Dharavath, S. / Desroses, M. / Suresh, S. / Andaloussi, M. / Nikhil, R. / Sreevalli, S. / Srinivasa, B.R. / Larhed, M. / Jones, T.A. / Karlen, A. / Mowbray, S.L.
External linksJ. Med. Chem. / PubMed:23819803
MethodsX-ray diffraction
Resolution1.9 - 2.3 Å
Structure data

PDB-3zhx:
Structure of Mycobacterium tuberculosis DXR in complex with a fosmidomycin analogue
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3zhy:
Structure of Mycobacterium tuberculosis DXR in complex with a di- substituted fosmidomycin analogue
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-3zhz:
Structure of Mycobacterium tuberculosis DXR in complex with a fosmidomycin analogue
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-3zi0:
Structure of Mycobacterium tuberculosis DXR in complex with a fosmidomycin analogue
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-MN:
Unknown entry

ChemComp-FM6:
[(1S)-1-(3,4-dichlorophenyl)-3-[oxidanyl(phenylcarbonyl)amino]propyl]phosphonic acid

ChemComp-HOH:
WATER

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-FM7:
[(1S)-1-(3,4-dichlorophenyl)-3-[oxidanyl-[2-[[3-(trifluoromethyl)phenyl]amino]phenyl]carbonyl-amino]propyl]phosphonic acid

ChemComp-FM8:
[(1S)-1-(3,4-dichlorophenyl)-3-{hydroxy[2-(1H-1,2,4-triazol-1-ylmethyl)benzoyl]amino}propyl]phosphonic acid

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsOXIDOREDUCTASE / RV2870C / DOXP/MEP PATHWAY / ISPC / DOXP/MEP PATHWAY ISPC / TUBERCULOSIS

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