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	Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.
ジャーナル・号・ページ	Eur. J. Med. Chem., Vol. 211, Page 113021-113021, Year 2021
掲載日	2020年4月6日 (構造データの登録日)
著者	De Ruysscher, D. / Pang, L. / Lenders, S.M.G. / Cappoen, D. / Cos, P. / Rozenski, J. / Strelkov, S.V. / Weeks, S.D. / Van Aerschot, A.
リンク	Eur. J. Med. Chem. / PubMed:33248851
手法	X線回折
解像度	1.94 - 2.63 Å
構造データ	PDB-6ykk: Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 15 手法: X-RAY DIFFRACTION / 解像度: 2.236 Å PDB-6ykl: Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11k 手法: X-RAY DIFFRACTION / 解像度: 2.27 Å PDB-6ykn: Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11b 手法: X-RAY DIFFRACTION / 解像度: 2.63 Å PDB-6yko: Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11a 手法: X-RAY DIFFRACTION / 解像度: 2.21 Å PDB-6ykq: Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11c 手法: X-RAY DIFFRACTION / 解像度: 1.94 Å PDB-6yks: Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11d 手法: X-RAY DIFFRACTION / 解像度: 1.97 Å PDB-6ykt: Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11e 手法: X-RAY DIFFRACTION / 解像度: 2.32 Å PDB-6yku: Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11f 手法: X-RAY DIFFRACTION / 解像度: 2.14 Å PDB-6ykv: Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11g 手法: X-RAY DIFFRACTION / 解像度: 2.43 Å PDB-6ykw: Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11h 手法: X-RAY DIFFRACTION / 解像度: 2.46 Å PDB-6ykx: Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11j 手法: X-RAY DIFFRACTION / 解像度: 2.41 Å PDB-7a0p: Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11i 手法: X-RAY DIFFRACTION / 解像度: 2.18 Å
化合物	ChemComp-OVK: [(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethyl]oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-MG: Unknown entry / マグネシウムジカチオン ChemComp-ZN: Unknown entry ChemComp-HOH: WATER ChemComp-OVH: [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-(4-phenyl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate ChemComp-OV8: [(2~{R},3~{S},4~{S},5~{R})-5-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate ChemComp-OW5: [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-(4-pentylphenyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate ChemComp-OVW: [(2~{R},3~{S},4~{S},5~{R})-5-[3-(4-octyl-1,2,3-triazol-1-yl)propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate ChemComp-OVT: [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-(2-phenylethyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate ChemComp-OVN: [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-(4-oxidanylbutyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate ChemComp-OVB: [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[4-(trifluoromethyloxy)phenyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate ChemComp-OVQ: [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-(4-pyridin-3-yl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate ChemComp-OVZ: [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)amino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate ChemComp-OW2: [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)carbamoylamino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate ChemComp-QTW: [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[(~{E})-phenylcarbonyliminomethyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
由来	neisseria gonorrhoeae (淋菌)
キーワード	LIGASE / protein-inhibitor complex / Rossmann fold / tRNA synthetase