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Structure paper

TitleDesign, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 5002-5014, Year 2017
Publish dateDec 1, 2016 (structure data deposition date)
AuthorsPiizzi, G. / Parker, D.T. / Peng, Y. / Dobler, M. / Patnaik, A. / Wattanasin, S. / Liu, E. / Lenoir, F. / Nunez, J. / Kerrigan, J. ...Piizzi, G. / Parker, D.T. / Peng, Y. / Dobler, M. / Patnaik, A. / Wattanasin, S. / Liu, E. / Lenoir, F. / Nunez, J. / Kerrigan, J. / McKenney, D. / Osborne, C. / Yu, D. / Lanieri, L. / Bojkovic, J. / Dzink-Fox, J. / Lilly, M.D. / Sprague, E.R. / Lu, Y. / Wang, H. / Ranjitkar, S. / Xie, L. / Wang, B. / Glick, M. / Hamann, L.G. / Tommasi, R. / Yang, X. / Dean, C.R.
External linksJ. Med. Chem. / PubMed:28549219
MethodsX-ray diffraction
Resolution1.75 - 2 Å
Structure data

PDB-5u39:
Pseudomonas aeruginosa LpxC in complex with CHIR-090
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-5u3b:
Pseudomonas aeruginosa LpxC in complex with NVS-LPXC-01
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-C90:
N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide

ChemComp-HOH:
WATER

ChemComp-7TD:
N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

Source
  • pseudomonas aeruginosa (strain atcc 15692 / dsm 22644 / cip 104116 / jcm 14847 / lmg 12228 / 1c / prs 101 / pao1) (bacteria)
KeywordsHYDROLASE / LPXC / HYDROXYMATE / GRAM NEGATIVE

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