6I48
Structure of P. aeruginosa LpxC with compound 12: (2R)-4-(6-(2-Fluoro-4-methoxyphenyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
This is a non-PDB format compatible entry.
Summary for 6I48
Entry DOI | 10.2210/pdb6i48/pdb |
Descriptor | UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION, (2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, ... (5 entities in total) |
Functional Keywords | inhibitor, hydrolase |
Biological source | Pseudomonas aeruginosa LESB58 |
Total number of polymer chains | 1 |
Total formula weight | 33713.55 |
Authors | Surivet, J.-P.,Panchaud, P.,Specklin, J.-L.,Diethelm, S.,Blumstein, A.-C.,Gauvin, J.-C.,Jacob, L.,Masse, F.,Mathieu, G.,Mirre, A.,Schmitt, C.,Enderlin-Paput, M.,Lange, R.,Bur, D.,Tidten-Luksch, N.,Gnerre, C.,Seeland, S.,Hermann, C.,Locher, H.H.,Seiler, P.,Mac Sweeney, A.,Hubschwerlen, C.,Ritz, D.,Rueedi, G. (deposition date: 2018-11-09, release date: 2019-12-18, Last modification date: 2024-01-24) |
Primary citation | Surivet, J.P.,Panchaud, P.,Specklin, J.L.,Diethelm, S.,Blumstein, A.C.,Gauvin, J.C.,Jacob, L.,Masse, F.,Mathieu, G.,Mirre, A.,Schmitt, C.,Lange, R.,Tidten-Luksch, N.,Gnerre, C.,Seeland, S.,Herrmann, C.,Seiler, P.,Enderlin-Paput, M.,Mac Sweeney, A.,Wicki, M.,Hubschwerlen, C.,Ritz, D.,Rueedi, G. Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria. J.Med.Chem., 63:66-87, 2020 Cited by PubMed: 31804826DOI: 10.1021/acs.jmedchem.9b01604 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.196 Å) |
Structure validation
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