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	Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
ジャーナル・号・ページ	Chem. Biol., Vol. 8, Page 1107-1121, Year 2001
掲載日	2001年4月27日 (構造データの登録日)
著者	Katz, B.A. / Sprengeler, P.A. / Luong, C. / Verner, E. / Elrod, K. / Kirtley, M. / Janc, J. / Spencer, J.R. / Breitenbucher, J.G. / Hui, H. ...Katz, B.A. / Sprengeler, P.A. / Luong, C. / Verner, E. / Elrod, K. / Kirtley, M. / Janc, J. / Spencer, J.R. / Breitenbucher, J.G. / Hui, H. / McGee, D. / Allen, D. / Martelli, A. / Mackman, R.L.
リンク	Chem. Biol. / PubMed:11731301
手法	X線回折
解像度	1.5 - 1.9 Å
構造データ	PDB-1gj4: SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN 手法: X-RAY DIFFRACTION / 解像度: 1.81 Å PDB-1gj5: SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN 手法: X-RAY DIFFRACTION / 解像度: 1.73 Å PDB-1gj6: ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-1gj7: ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-1gj8: ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS 手法: X-RAY DIFFRACTION / 解像度: 1.64 Å PDB-1gj9: ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-1gja: ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS 手法: X-RAY DIFFRACTION / 解像度: 1.56 Å PDB-1gjb: ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-1gjc: ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS 手法: X-RAY DIFFRACTION / 解像度: 1.73 Å PDB-1gjd: ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å
化合物	ChemComp-NA: Unknown entry / ナトリウムカチオン ChemComp-132: 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE ChemComp-HOH: WATER ChemComp-130: 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE / 2-(2-ヒドロキシ-3-ビフェニリル)-1H-ベンゾイミダゾ-ル-5-カルボアミジン ChemComp-CA: Unknown entry / カルシウムジカチオン ChemComp-CIT: CITRIC ACID / クエン酸 ChemComp-133: 6-FLUORO-2-(2-HYDROXY-3-ISOBUTOXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE / 2-(2-ヒドロキシ-3-イソブトキシフェニル)-6-フルオロ-1H-ベンゾイミダゾ-ル-5-カルボアミジン ChemComp-134: 6-FLUORO-2-[2-HYDROXY-3-(2-METHYL-CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-5-CARBOXAMIDINE ChemComp-135: N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-BENZAMIDE / N-(4-アミジノフェニル)-2-ヒドロキシベンズアミド ChemComp-136: N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE / N-(3-クロロ-4-アミジノフェニル)-2-ヒドロキシ-3-ヨ-ド-5-メチルベンズアミド
由来	homo sapiens (ヒト) hirudo medicinalis (医用ビル) bos taurus (ウシ)
キーワード	HYDROLASE/HYDROLASE INHIBITOR / three-centered / very short hydrogen bond / oxyanion hole water / shift of pKa of His57 / structure-based drug design / specificity / urokinase / trypsin / thrombin / Zn+2-mediated inhibition / BLOOD CLOTTING / hydrolase / HYDROLASE-HYDROLASE INHIBITOR COMPLEX / HYDROLASE/INHIBITOR / HYDROLASE-INHIBITOR complex / selectivity at S1 / H2O displacement / uPA / tPA / Ser190/Ala190 protease