6I49

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

これはPDB形式変換不可エントリーです。

6I49 の概要

• エントリーDOI: 10.2210/pdb6i49/pdb
• 分子名称: UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION, (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, ... (4 entities in total)
• 機能のキーワード: inhibitor, hydrolase
• 由来する生物種: Pseudomonas aeruginosa LESB58
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 67453.24

構造登録者

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. (登録日: 2018-11-09, 公開日: 2019-12-18, 最終更新日: 2024-01-24)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (1.94 Å)