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	Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
ジャーナル・号・ページ	J. Med. Chem., Vol. 63, Page 14805-14820, Year 2020
掲載日	2020年7月7日 (構造データの登録日)
著者	Yamada, Y. / Takashima, H. / Walmsley, D.L. / Ushiyama, F. / Matsuda, Y. / Kanazawa, H. / Yamaguchi-Sasaki, T. / Tanaka-Yamamoto, N. / Yamagishi, J. / Kurimoto-Tsuruta, R. ...Yamada, Y. / Takashima, H. / Walmsley, D.L. / Ushiyama, F. / Matsuda, Y. / Kanazawa, H. / Yamaguchi-Sasaki, T. / Tanaka-Yamamoto, N. / Yamagishi, J. / Kurimoto-Tsuruta, R. / Ogata, Y. / Ohtake, N. / Angove, H. / Baker, L. / Harris, R. / Macias, A. / Robertson, A. / Surgenor, A. / Watanabe, H. / Nakano, K. / Mima, M. / Iwamoto, K. / Okada, A. / Takata, I. / Hitaka, K. / Tanaka, A. / Fujita, K. / Sugiyama, H. / Hubbard, R.E.
リンク	J. Med. Chem. / PubMed:33210531
手法	X線回折
解像度	1.61 - 3 Å
構造データ	PDB-7ci4: Crystal structure of P.aeruginosa LpxC in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-7ci5: Crystal structure of P.aeruginosa LpxC in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-7ci6: Crystal structure of P.aeruginosa LpxC in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-7ci7: Crystal structure of P.aeruginosa LpxC in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-7ci8: Crystal structure of P.aeruginosa LpxC in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 3 Å PDB-7ci9: Crystal structure of P.aeruginosa LpxC in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-7cia: Crystal structure of P.aeruginosa LpxC in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.92 Å PDB-7cib: Crystal structure of P.aeruginosa LpxC in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.61 Å PDB-7cic: Crystal structure of P.aeruginosa LpxC in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.78 Å PDB-7cid: Crystal structure of P.aeruginosa LpxC in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.49 Å PDB-7cie: Crystal structure of P.aeruginosa LpxC in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å
化合物	ChemComp-FXU: (2R)-2-azanyl-4-methylsulfonyl-N-[3-(trifluoromethyloxy)phenyl]butanamide ChemComp-ZN: Unknown entry ChemComp-MG: Unknown entry / マグネシウムジカチオン ChemComp-CL: Unknown entry / クロリド ChemComp-HOH: WATER ChemComp-FXX: (3R)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid ChemComp-MPO: 3[N-MORPHOLINO]PROPANE SULFONIC ACID / MOPS / pH緩衝剤YM ChemComp-FY6: (1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol ChemComp-FY9: (2R,3R)-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one ChemComp-FYF: (1S)-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol ChemComp-FYL: 2-azanyl-2-[[4-[2-[3-[[2-[(1S)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol ChemComp-PO4: PHOSPHATE ION / ホスファ-ト ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-MPB: 4-HYDROXY-BENZOIC ACID METHYL ESTER / メチルパラベン ChemComp-FYR: 2-oxidanyl-4-phenyl-benzoic acid ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-FZ0: 2-azanyl-N-[3-(trifluoromethyloxy)phenyl]ethanamide ChemComp-FZ3: 1-[3-(4-chlorophenyl)propyl]imidazole / 1-[3-(4-クロロフェニル)プロピル]-1H-イミダゾ-ル ChemComp-FZ6: (2R)-2-azanyl-3-oxidanyl-N-[3-(trifluoromethyloxy)phenyl]propanamide
由来	pseudomonas aeruginosa pao1 (緑膿菌)
キーワード	HYDROLASE / UDP-3-O-acyl-N-acetylglucosamine deacetylase / EnvA / LpxC / Pseudomonas aeruginosa