6I4A

Structure of P. aeruginosa LpxC with compound 18d: (2R)-N-Hydroxy-4-(6-((1-(hydroxymethyl)cyclopropyl)buta-1,3-diyn-1-yl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-2-methyl-2-(methylsulfonyl)butanamide

This is a non-PDB format compatible entry.

Summary for 6I4A

• Entry DOI: 10.2210/pdb6i4a/pdb
• Descriptor: UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION, (2~{R})-4-[6-[4-[1-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, ... (4 entities in total)
• Functional Keywords: inhibitor, hydrolase
• Biological source: Pseudomonas aeruginosa LESB58
• Total number of polymer chains: 1
• Total formula weight: 33645.50

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; PubMed: 31804826; DOI: 10.1021/acs.jmedchem.9b01604

Experimental method

X-RAY DIFFRACTION (2.251 Å)