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	Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
ジャーナル・号・ページ	Chemistryopen, Vol. 10, Page 567-580, Year 2021
掲載日	2020年3月28日 (構造データの登録日)
著者	Smirnoviene, J. / Smirnov, A. / Zaksauskas, A. / Zubriene, A. / Petrauskas, V. / Mickeviciute, A. / Michailoviene, V. / Capkauskaite, E. / Manakova, E. / Grazulis, S. ...Smirnoviene, J. / Smirnov, A. / Zaksauskas, A. / Zubriene, A. / Petrauskas, V. / Mickeviciute, A. / Michailoviene, V. / Capkauskaite, E. / Manakova, E. / Grazulis, S. / Baranauskiene, L. / Chen, W.Y. / Ladbury, J.E. / Matulis, D.
リンク	Chemistryopen / PubMed:33945229
手法	X線回折
解像度	1.12 - 1.65 Å
構造データ	PDB-6yh4: Crystal structure of chimeric carbonic anhydrase XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide 手法: X-RAY DIFFRACTION / 解像度: 1.3 Å PDB-6yh5: Crystal structure of chimeric carbonic anhydrase XII with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide 手法: X-RAY DIFFRACTION / 解像度: 1.2 Å PDB-6yh6: Crystal structure of chimeric carbonic anhydrase XII with 2-(Cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-6yh7: Crystal structure of chimeric carbonic anhydrase XII with 3-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide 手法: X-RAY DIFFRACTION / 解像度: 1.12 Å PDB-6yh8: Crystal structure of chimeric carbonic anhydrase XII with 2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide 手法: X-RAY DIFFRACTION / 解像度: 1.2 Å PDB-6yh9: Crystal structure of chimeric carbonic anhydrase XII with 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-6yha: Crystal structure of chimeric carbonic anhydrase XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide 手法: X-RAY DIFFRACTION / 解像度: 1.25 Å PDB-6yhb: Crystal structure of chimeric carbonic anhydrase XII with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-6yhc: Crystal structure of chimeric carbonic anhydrase XII with 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide 手法: X-RAY DIFFRACTION / 解像度: 1.28 Å
化合物	ChemComp-ZN: Unknown entry ChemComp-V13: 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide / 4-(2-ヒドロキシエチルスルホニル)-2,3,5,6-テトラフルオロベンゼンスルホンアミド ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-HOH: WATER ChemComp-E1F: 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide ChemComp-BEZ: BENZOIC ACID / 安息香酸 ChemComp-OQW: 2-(Cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide ChemComp-5EF: 3-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide 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 ChemComp-OQT: 2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide ChemComp-WWX: 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide 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-LML: ISOBUTYL MALONIC ACID / (2-メチルプロピル)プロパン二酸 ChemComp-3TV: 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide / 4-(プロピルチオ)-2,3,5,6-テトラフルオロベンゼンスルホンアミド ChemComp-V50: 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide / 2,3,5,6-テトラフルオロ-4-[(4,6-ジメチルピリミジン-2-イル)チオ]ベンゼンスルホンアミド ChemComp-WWO*: 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
由来	homo sapiens (ヒト)
キーワード	LYASE / drug design / carbonic anhydrase / benzenesulfonamide / metal-binding / lyase-lyase inhibitor complex