Structure of P. aeruginosa LpxC with compound 17a: (2R)-N-Hydroxy-2-methyl-2-(methylsulfonyl)-4(6((4(morpholinomethyl)phenyl)ethynyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)yl)butanamide

Structure of P. aeruginosa LpxC with compound 17a: (2R)-N-Hydroxy-2-methyl-2-(methylsulfonyl)-4(6((4(morpholinomethyl)phenyl)ethynyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)yl)butanamide Descriptor: (2~{R})-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-~{N}-oxidanyl-butanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION 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. Deposit date: 2018-11-09 Release date: 2019-12-18 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria. J.Med.Chem., 63, 2020

铜绿假单胞菌（P. aeruginosa）LpxC与化合物17a的共晶结构：(2R)-N-羟基-2-甲基-2-(甲磺酰基)-4-[6-[[4-(吗啉甲基)苯基]乙炔基]-3-氧代-1H-吡咯并[1,2-c]咪唑-2(3H)基]丁酰胺
结构描述符：(2R)-2-甲基-2-甲磺酰基-4-[6-[2-[4-(吗啉-4-基甲基)苯基]乙炔基]-3-氧代-1H-吡咯并[1,2-c]咪唑-2-基]-N-羟基丁酰胺，UDP-3-O-酰基-N-乙酰葡糖胺脱乙酰酶（UDP-3-O-acyl-N-acetylglucosamine deacetylase），锌离子（ZINC ION）
作者：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.
沉积日期：2018-11-09
发布日期：2019-12-18
最后修改时间：2024-01-24
检测方法：X射线衍射法（分辨率1.94埃）
引用文献：《靶向LpxC的新型抑制剂发现：对革兰氏阴性菌展现强效体外活性》，《药物化学杂志（J.Med.Chem.）》，第63卷，2020年