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	Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII
ジャーナル・号・ページ	Bioorg. Med. Chem., Vol. 21, Page 6937-6947, Year 2013
掲載日	2013年5月10日 (構造データの登録日)
著者	Capkauskaite, E. / Zubriene, A. / Smirnov, A. / Torresan, J. / Kisonaite, M. / Kazokaite, J. / Gylyte, J. / Michailoviene, V. / Jogaite, V. / Manakova, E. ...Capkauskaite, E. / Zubriene, A. / Smirnov, A. / Torresan, J. / Kisonaite, M. / Kazokaite, J. / Gylyte, J. / Michailoviene, V. / Jogaite, V. / Manakova, E. / Grazulis, S. / Tumkevicius, S. / Matulis, D.
リンク	Bioorg. Med. Chem. / PubMed:24103428
手法	X線回折
解像度	1.404 - 2 Å
構造データ	PDB-4kni: Crystal structure of human carbonic anhydrase isozyme II with 2-Chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-4knj: Crystal structure of human carbonic anhydrase isozyme II with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-4knm: Crystal structure of human carbonic anhydrase isozyme XIII with 2-Chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-4knn: Crystal structure of human carbonic anhydrase isozyme XIII with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide 手法: X-RAY DIFFRACTION / 解像度: 1.404 Å PDB-4kp5: Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-4kp8: Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with 3-[(Pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å
化合物	ChemComp-ZN: Unknown entry ChemComp-DMS: DIMETHYL SULFOXIDE / DMSO, 沈殿剤YM ChemComp-MES: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH緩衝剤YM ChemComp-E1E: 2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide ChemComp-HOH: WATER ChemComp-E1F: 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide ChemComp-PGE: TRIETHYLENE GLYCOL ChemComp-CIT: CITRIC ACID ChemComp-EDO: 1,2-ETHANEDIOL ChemComp-ACY: ACETIC ACID ChemComp-PEG: DI(HYDROXYETHYL)ETHER ChemComp-SO4: SULFATE ION ChemComp-E1G: 3-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
由来	homo sapiens (ヒト)
キーワード	LYASE/LYASE INHIBITOR / drug design / carbonic anhydrase / benzenesulfonamide / metal-binding / LYASE-LYASE INHIBITOR complex