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Structure paper

TitleLead optimization of 2-hydroxymethyl imidazoles as non-hydroxamate LpxC inhibitors: Discovery of TP0586532.
Journal, issue, pagesBioorg. Med. Chem., Vol. 30, Page 115964-115964, Year 2020
Publish dateNov 4, 2020 (structure data deposition date)
AuthorsUshiyama, F. / Takashima, H. / Matsuda, Y. / Ogata, Y. / Sasamoto, N. / Kurimoto-Tsuruta, R. / Ueki, K. / Tanaka-Yamamoto, N. / Endo, M. / Mima, M. ...Ushiyama, F. / Takashima, H. / Matsuda, Y. / Ogata, Y. / Sasamoto, N. / Kurimoto-Tsuruta, R. / Ueki, K. / Tanaka-Yamamoto, N. / Endo, M. / Mima, M. / Fujita, K. / Takata, I. / Tsuji, S. / Yamashita, H. / Okumura, H. / Otake, K. / Sugiyama, H.
External linksBioorg. Med. Chem. / PubMed:33385955
MethodsX-ray diffraction
Resolution1.9 - 2.15 Å
Structure data

PDB-7del:
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-7dem:
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-7den:
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-H4L:
3-[4-[2-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]propan-1-ol

ChemComp-HOH:
WATER

ChemComp-H4O:
5-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]pent-4-yn-1-ol

ChemComp-H4R:
4-[(1~{R},5~{S})-6-[2-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]butanoic acid

Source
  • pseudomonas aeruginosa pao1 (bacteria)
KeywordsHYDROLASE / UDP-3-O-acyl-N-acetylglucosamine deacetylase EnvA / LpxC / Pseudomonas aeruginosa

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