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Structure paper

TitleThiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG.
Journal, issue, pagesChem. Biol., Vol. 22, Page 917-927, Year 2015
Publish dateApr 17, 2015 (structure data deposition date)
AuthorsMori, G. / Chiarelli, L.R. / Esposito, M. / Makarov, V. / Bellinzoni, M. / Hartkoorn, R.C. / Degiacomi, G. / Boldrin, F. / Ekins, S. / de Jesus Lopes Ribeiro, A.L. ...Mori, G. / Chiarelli, L.R. / Esposito, M. / Makarov, V. / Bellinzoni, M. / Hartkoorn, R.C. / Degiacomi, G. / Boldrin, F. / Ekins, S. / de Jesus Lopes Ribeiro, A.L. / Marino, L.B. / Centarova, I. / Svetlikova, Z. / Blasko, J. / Kazakova, E. / Lepioshkin, A. / Barilone, N. / Zanoni, G. / Porta, A. / Fondi, M. / Fani, R. / Baulard, A.R. / Mikusova, K. / Alzari, P.M. / Manganelli, R. / de Carvalho, L.P. / Riccardi, G. / Cole, S.T. / Pasca, M.R.
External linksChem. Biol. / PubMed:26097035
MethodsX-ray diffraction
Resolution1.99 - 3.52 Å
Structure data

PDB-4zdi:
Crystal structure of the M. tuberculosis CTP synthase PyrG (apo form)
Method: X-RAY DIFFRACTION / Resolution: 3.52 Å

PDB-4zdj:
Crystal structure of the M. tuberculosis CTP synthase PyrG in complex with two UTP molecules
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

PDB-4zdk:
Crystal structure of the M. tuberculosis CTP synthase PyrG in complex with UTP, AMP-PCP and oxonorleucine
Method: X-RAY DIFFRACTION / Resolution: 3.49 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-UTP:
URIDINE 5'-TRIPHOSPHATE / UTP*YM

ChemComp-MG:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-ONL:
5-OXO-L-NORLEUCINE

ChemComp-ACP:
PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER / AMP-PCP, energy-carrying molecule analogue*YM

Source
  • mycobacterium tuberculosis (strain atcc 25618 / h37rv) (bacteria)
KeywordsLIGASE / CTP synthase / PyrG / amidotransferase / UTP / AMP-PCP / 5-oxo-L-norleucine

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