9G3L の概要
| エントリーDOI | 10.2210/pdb9g3l/pdb |
| 分子名称 | Fucose-binding lectin PA-IIL, CALCIUM ION, 5-[3-(aminomethyl)phenyl]-~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]furan-2-carboxamide, ... (5 entities in total) |
| 機能のキーワード | lectin, beta-fucosylamide, anti-adhesive, pseudomonas, sugar binding protein |
| 由来する生物種 | Pseudomonas aeruginosa PAO1 |
| タンパク質・核酸の鎖数 | 4 |
| 化学式量合計 | 48540.77 |
| 構造登録者 | |
| 主引用文献 | Antonini, G.,Fares, M.,Hauck, D.,Mala, P.,Gillon, E.,Belvisi, L.,Bernardi, A.,Titz, A.,Varrot, A.,Mazzotta, S. Toward Dual-Target Glycomimetics against Two Bacterial Lectins to Fight Pseudomonas aeruginosa - Burkholderia cenocepacia Infections: A Biophysical Study. J.Med.Chem., 68:9681-9693, 2025 Cited by PubMed Abstract: Chronic lung infections caused by and pose a severe threat to immunocompromised patients, particularly those with cystic fibrosis. These pathogens often infect the respiratory tract, and available treatments are limited due to antibiotic resistance. Targeting bacterial lectins involved in biofilm formation and host-pathogen interactions represents a promising therapeutic strategy. In this study, we evaluate the potential of synthetic fucosylamides as inhibitors of the two lectins LecB () and BC2L-C-Nt (). Using a suite of biophysical assays, we assessed their binding affinities, identifying three β-fucosylamides as promising dual-target ligands, while crystallography studies revealed the atomic basis of these ligands to interact with both bacterial lectins. The emerged classes of compounds represent a solid starting point for the necessary hit-to-lead optimization for future dual inhibitors aiming at the treatment of coinfections with these two bacterial pathogens. PubMed: 40279549DOI: 10.1021/acs.jmedchem.5c00405 主引用文献が同じPDBエントリー |
| 実験手法 | X-RAY DIFFRACTION (1.739 Å) |
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