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Structure paper

TitleTwo Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 142, Page 4445-4455, Year 2020
Publish dateJun 10, 2019 (structure data deposition date)
AuthorsHan, W. / Ma, X. / Balibar, C.J. / Baxter Rath, C.M. / Benton, B. / Bermingham, A. / Casey, F. / Chie-Leon, B. / Cho, M.K. / Frank, A.O. ...Han, W. / Ma, X. / Balibar, C.J. / Baxter Rath, C.M. / Benton, B. / Bermingham, A. / Casey, F. / Chie-Leon, B. / Cho, M.K. / Frank, A.O. / Frommlet, A. / Ho, C.M. / Lee, P.S. / Li, M. / Lingel, A. / Ma, S. / Merritt, H. / Ornelas, E. / De Pascale, G. / Prathapam, R. / Prosen, K.R. / Rasper, D. / Ruzin, A. / Sawyer, W.S. / Shaul, J. / Shen, X. / Shia, S. / Steffek, M. / Subramanian, S. / Vo, J. / Wang, F. / Wartchow, C. / Uehara, T.
External linksJ. Am. Chem. Soc. / PubMed:32064871
MethodsX-ray diffraction
Resolution1.7 - 2 Å
Structure data

PDB-6p9p:
E.coli LpxA in complex with Compound 1
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-6p9q:
E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 2
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-6p9r:
E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 6
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-6p9s:
E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 7
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-6p9t:
E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 8
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-O5J:
3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione

ChemComp-HOH:
WATER

ChemComp-U20:
uridine-5'-diphosphate-3-O-(R-3-hydroxymyristoyl)-N-acetyl-D-glucosamine

ChemComp-O5P:
[(3R)-3-benzylmorpholin-4-yl][5-(4-methylpyridin-2-yl)-1H-pyrazol-3-yl]methanone

ChemComp-O5M:
{(3R)-3-[(2-fluorophenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1H-pyrazol-5-yl]methanone

ChemComp-O5G:
{(3R)-3-[(2-methoxyphenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1H-pyrazol-5-yl]methanone

ChemComp-O5D:
[3-(5-amino-4-methylpyridin-2-yl)-1H-pyrazol-5-yl]{(3R)-3-[(2-chloro-6-methoxyphenyl)methyl]morpholin-4-yl}methanone

Source
  • escherichia coli (E. coli)
KeywordsTRANSFERASE/INHIBITOR / Acyltransferase / TRANSFERASE / TRANSFERASE-INHIBITOR complex

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