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	Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
ジャーナル・号・ページ	Eur. J. Med. Chem., Vol. 185, Page 111825-111825, Year 2020
掲載日	2019年2月8日 (構造データの登録日)
著者	Zaksauskas, A. / Capkauskaite, E. / Jezepcikas, L. / Linkuviene, V. / Paketuryte, V. / Smirnov, A. / Leitans, J. / Kazaks, A. / Dvinskis, E. / Manakova, E. ...Zaksauskas, A. / Capkauskaite, E. / Jezepcikas, L. / Linkuviene, V. / Paketuryte, V. / Smirnov, A. / Leitans, J. / Kazaks, A. / Dvinskis, E. / Manakova, E. / Grazulis, S. / Tars, K. / Matulis, D.
リンク	Eur. J. Med. Chem. / PubMed:31740053
手法	X線回折
解像度	1.2 - 2.25 Å
構造データ	PDB-6qn0: Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide 手法: X-RAY DIFFRACTION / 解像度: 1.89 Å PDB-6qn2: Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-6qn5: Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide 手法: X-RAY DIFFRACTION / 解像度: 1.96 Å PDB-6qn6: Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide 手法: X-RAY DIFFRACTION / 解像度: 2.25 Å PDB-6qnl: Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide 手法: X-RAY DIFFRACTION / 解像度: 1.53 Å PDB-6qut: Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide 手法: X-RAY DIFFRACTION / 解像度: 1.96 Å PDB-6r6f: Crystal structure of human carbonic anhydrase isozyme II with 4-chloro-2-cyclohexylsulfanyl-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide 手法: X-RAY DIFFRACTION / 解像度: 1.2 Å PDB-6r6j: Crystal structure of human carbonic anhydrase isozyme II with 2-(benzenesulfonyl)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-6r6y: Crystal structure of human carbonic anhydrase isozyme XII with 4-chloro-2-cyclohexylsulfanyl-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide 手法: X-RAY DIFFRACTION / 解像度: 1.38 Å PDB-6r71: Crystal structure of human carbonic anhydrase isozyme XII with 2-(benzenesulfonyl)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide 手法: X-RAY DIFFRACTION / 解像度: 2 Å
化合物	ChemComp-ZN: Unknown entry ChemComp-J8Q: ~{N}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide ChemComp-HOH: WATER ChemComp-J92: methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate ChemComp-J8N: 4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide ChemComp-EA3: 4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-MES: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID / 2-モルホリノエタンスルホン酸 / pH緩衝剤YM ChemComp-JTW: 4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル
由来	homo sapiens (ヒト)
キーワード	LYASE / drug design / carbonic anhydrase / benzenesulfonamide / metal binding protein / lyase-lyase inhibitor complex / metal-binding