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	Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
ジャーナル・号・ページ	Int J Mol Sci, Vol. 23, Year 2021
掲載日	2021年9月9日 (構造データの登録日)
著者	Zaksauskas, A. / Capkauskaite, E. / Paketuryte-Latve, V. / Smirnov, A. / Leitans, J. / Kazaks, A. / Dvinskis, E. / Stancaitis, L. / Mickeviciute, A. / Jachno, J. ...Zaksauskas, A. / Capkauskaite, E. / Paketuryte-Latve, V. / Smirnov, A. / Leitans, J. / Kazaks, A. / Dvinskis, E. / Stancaitis, L. / Mickeviciute, A. / Jachno, J. / Jezepcikas, L. / Linkuviene, V. / Sakalauskas, A. / Manakova, E. / Grazulis, S. / Matuliene, J. / Tars, K. / Matulis, D.
リンク	Int J Mol Sci / PubMed:35008553
手法	X線回折
解像度	1.12 - 2.34 Å
構造データ	PDB-7pom: Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å PDB-7pp9: Three dimensional structure of human carbonic anhydrase XII in complex with sulfonamide 手法: X-RAY DIFFRACTION / 解像度: 2.34 Å PDB-7puu: Crystal structure of carbonic anhydrase XII with methyl 4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzoate 手法: X-RAY DIFFRACTION / 解像度: 1.51 Å PDB-7puv: Crystal structure of carbonic anhydrase XII with methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-7puw: Crystal structure of carbonic anhydrase XII with methyl 2-chloro-4-[(2-phenylethyl)sulfanyl]-5-sulfamoylbenzoate 手法: X-RAY DIFFRACTION / 解像度: 1.42 Å PDB-7q0c: Mimic carbonic anhydrase IX in complex with Methyl 2-chloro-4-(cyclohexylsulfanyl)-5-sulfamoylbenzoate 手法: X-RAY DIFFRACTION / 解像度: 1.12 Å PDB-7q0d: Human carbonic anhydrase I in complex with Methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate 手法: X-RAY DIFFRACTION / 解像度: 1.24 Å PDB-7q0e: Human Carbonic Anhydrase II in complex with Methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate 手法: X-RAY DIFFRACTION / 解像度: 1.3 Å
化合物	ChemComp-ZN: Unknown entry ChemComp-7VZ: methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate ChemComp-HOH: WATER ChemComp-84O: methyl 4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzoate ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-84Z: methyl 4-chloranyl-2-(phenylsulfonyl)-5-sulfamoyl-benzoate ChemComp-PEG: DI(HYDROXYETHYL)ETHER / ジエチレングリコ-ル ChemComp-84I: methyl 2-chloranyl-4-(2-phenylethylsulfanyl)-5-sulfamoyl-benzoate ChemComp-ACT: ACETATE ION / 酢酸イオン ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-NA: Unknown entry / ナトリウムカチオン ChemComp-BCN: BICINE / N,N-ビス(2-ヒドロキシエチル)グリシン / pH緩衝剤YM
由来	homo sapiens (ヒト)
キーワード	LYASE / CA IX / CA 9 / carbonic anhydrase IX / carbonic anhydrase 9 / CA XII / CA 12 / carbonic anhydrase XII / carbonic anhydrase 12 / drug design / carbonic anhydrase / benzenesulfonamide / metal-binding / lyase-lyase inhibitor complex