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	Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
ジャーナル・号・ページ	Chemphyschem, Vol. 19, Page 873-879, Year 2018
掲載日	2017年5月10日 (構造データの登録日)
著者	Pecina, A. / Brynda, J. / Vrzal, L. / Gnanasekaran, R. / Horejsi, M. / Eyrilmez, S.M. / Rezac, J. / Lepsik, M. / Rezacova, P. / Hobza, P. ...Pecina, A. / Brynda, J. / Vrzal, L. / Gnanasekaran, R. / Horejsi, M. / Eyrilmez, S.M. / Rezac, J. / Lepsik, M. / Rezacova, P. / Hobza, P. / Majer, P. / Veverka, V. / Fanfrlik, J.
リンク	Chemphyschem / PubMed:29316128
手法	X線回折
解像度	1.1 - 1.4 Å
構造データ	PDB-5nxg: Carbonic Anhydrase II Inhibitor RA1 手法: X-RAY DIFFRACTION / 解像度: 1.2 Å PDB-5nxi: Carbonic Anhydrase II Inhibitor RA2 手法: X-RAY DIFFRACTION / 解像度: 1.16 Å PDB-5nxm: Carbonic Anhydrase II Inhibitor RA1 手法: X-RAY DIFFRACTION / 解像度: 1.25 Å PDB-5nxo: Carbonic Anhydrase II Inhibitor RA6 手法: X-RAY DIFFRACTION / 解像度: 1.2 Å PDB-5nxp: Carbonic Anhydrase II Inhibitor RA7 手法: X-RAY DIFFRACTION / 解像度: 1.25 Å PDB-5nxv: Carbonic Anhydrase II Inhibitor RA8 手法: X-RAY DIFFRACTION / 解像度: 1.1 Å PDB-5nxw: Carbonic Anhydrase II Inhibitor RA9 手法: X-RAY DIFFRACTION / 解像度: 1.1 Å PDB-5ny1: Carbonic Anhydrase II Inhibitor RA10 手法: X-RAY DIFFRACTION / 解像度: 1.1 Å PDB-5ny3: Carbonic Anhydrase II Inhibitor RA11 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-5ny6: Carbonic Anhydrase II Inhibitor RA12 手法: X-RAY DIFFRACTION / 解像度: 1.1 Å PDB-5nya: Carbonic Anhydrase II Inhibitor RA13 手法: X-RAY DIFFRACTION / 解像度: 1.2 Å
化合物	ChemComp-ZN: Unknown entry ChemComp-RA1: 2-chloranyl-4-nitro-~{N}-(4-sulfamoylphenyl)benzamide ChemComp-HOH: WATER ChemComp-9DE: 4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide ChemComp-CIT: CITRIC ACID / クエン酸 ChemComp-RA5: 8-methoxy-2-oxidanylidene-~{N}-(4-sulfamoylphenyl)chromene-3-carboxamide ChemComp-9HK: 4-[(4-nitrophenyl)methyl]benzenesulfonamide ChemComp-9DH: 2-[methyl(phenyl)amino]-~{N}-(4-sulfamoylphenyl)ethanamide ChemComp-9E2: 2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-~{N}-(4-sulfamoylphenyl)ethanamide ChemComp-RA9: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-~{N}-(4-sulfamoylphenyl)ethanamide ChemComp-9E5: 3,6,7-trimethyl-~{N}-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide ChemComp-9E8: 1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea ChemComp-9EB: 4-chloranyl-~{N}-[(1~{R})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide ChemComp-R92: 4-chloranyl-~{N}-[(1~{S})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide ChemComp-FB2: benzenesulfonamide / ベンゼンスルホンアミド ChemComp-GUA: GLUTARIC ACID / グルタル酸
由来	homo sapiens (ヒト)
キーワード	LYASE / Carbonic Anhydrase II / CA Inhibitor / HYDROLASE