EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
ジャーナル・号・ページ	J. Med. Chem., Vol. 64, Page 14377-14425, Year 2021
掲載日	2021年5月14日 (構造データの登録日)
著者	Ryan, M.D. / Parkes, A.L. / Corbett, D. / Dickie, A.P. / Southey, M. / Andersen, O.A. / Stein, D.B. / Barbeau, O.R. / Sanzone, A. / Thommes, P. ...Ryan, M.D. / Parkes, A.L. / Corbett, D. / Dickie, A.P. / Southey, M. / Andersen, O.A. / Stein, D.B. / Barbeau, O.R. / Sanzone, A. / Thommes, P. / Barker, J. / Cain, R. / Compper, C. / Dejob, M. / Dorali, A. / Etheridge, D. / Evans, S. / Faulkner, A. / Gadouleau, E. / Gorman, T. / Haase, D. / Holbrow-Wilshaw, M. / Krulle, T. / Li, X. / Lumley, C. / Mertins, B. / Napier, S. / Odedra, R. / Papadopoulos, K. / Roumpelakis, V. / Spear, K. / Trimby, E. / Williams, J. / Zahn, M. / Keefe, A.D. / Zhang, Y. / Soutter, H.T. / Centrella, P.A. / Clark, M.A. / Cuozzo, J.W. / Dumelin, C.E. / Deng, B. / Hunt, A. / Sigel, E.A. / Troast, D.M. / DeJonge, B.L.M.
リンク	J. Med. Chem. / PubMed:34569791
手法	X線回折
解像度	1.72 - 3.58 Å
構造データ	PDB-7oj6: Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1 手法: X-RAY DIFFRACTION / 解像度: 1.84 Å PDB-7ojp: Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1 手法: X-RAY DIFFRACTION / 解像度: 2.84 Å PDB-7ojq: Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 7 手法: X-RAY DIFFRACTION / 解像度: 1.87 Å PDB-7ojw: Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 93 手法: X-RAY DIFFRACTION / 解像度: 1.72 Å PDB-7ojy: Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 6 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-7ok1: Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3 手法: X-RAY DIFFRACTION / 解像度: 1.92 Å PDB-7ok2: Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3 手法: X-RAY DIFFRACTION / 解像度: 2.89 Å PDB-7oka: Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 14 手法: X-RAY DIFFRACTION / 解像度: 2.74 Å PDB-7okb: Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 45 手法: X-RAY DIFFRACTION / 解像度: 3.58 Å PDB-7okc: Crystal structure of Escherichia coli LpxA in complex with compound 1 手法: X-RAY DIFFRACTION / 解像度: 1.84 Å
化合物	ChemComp-VFE: 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide ChemComp-CL: Unknown entry / クロリド ChemComp-ACT: ACETATE ION / 酢酸イオン ChemComp-HOH: WATER ChemComp-MG: Unknown entry / マグネシウムジカチオン ChemComp-VJE: 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide ChemComp-VFW: 2-[2-(2-ethylphenoxy)ethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-~{N}-methyl-ethanamide ChemComp-VGQ: 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-oxidanyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide ChemComp-VFN: ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]ethanamide ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-VFT: 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-(1~{H}-imidazol-4-ylmethyl)ethanamide ChemComp-VFZ: ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(6-oxidanylidene-1~{H}-pyridin-3-yl)methyl]ethanamide ChemComp-NA: Unknown entry / ナトリウムカチオン
由来	pseudomonas aeruginosa (strain pa7) (緑膿菌) pseudomonas aeruginosa (緑膿菌) escherichia coli (大腸菌)
キーワード	TRANSFERASE / ACYLTRANSFERASE / FATTY ACIDS / LIPID A / LEFT-HANDED PARALLEL BETA-HELIX