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	Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?
ジャーナル・号・ページ	J. Med. Chem., Vol. 63, Page 3274-3289, Year 2020
掲載日	2018年10月2日 (構造データの登録日)
著者	Ngo, K. / Collins-Kautz, C. / Gerstenecker, S. / Wagner, B. / Heine, A. / Klebe, G.
リンク	J. Med. Chem. / PubMed:32011145
手法	X線回折
解像度	0.95 - 1.56 Å
構造データ	PDB-6hsx: Thrombin in Complex with a D-Phe-Pro-diaminopyridine derivative 手法: X-RAY DIFFRACTION / 解像度: 1.56 Å PDB-6sy3: Cationic Trypsin in Complex with a D-DiPhe-Pro-pyridine derivative 手法: X-RAY DIFFRACTION / 解像度: 0.95 Å PDB-6t0m: Cationic Trypsin in Complex with a D-Phe-Pro-diaminopyridine derivative 手法: X-RAY DIFFRACTION / 解像度: 1.51 Å PDB-6t0p: Cationic Trypsin in Complex with a D-Phe-Pro-2-aminopyridine derivative 手法: X-RAY DIFFRACTION / 解像度: 1.19 Å PDB-6t3q: Thrombin in Complex with a D-Phe-Pro-2-aminopyridine derivative 手法: X-RAY DIFFRACTION / 解像度: 1.33 Å PDB-6t4a: Thrombin in Complex with a D-Phe-Pro-p-aminopyridine derivative 手法: X-RAY DIFFRACTION / 解像度: 1.31 Å PDB-6t5w: Cationic Trypsin in Complex with a D-Phe-Pro-p-aminopyridine Derivative (cocrystallizaton at 291 K) 手法: X-RAY DIFFRACTION / 解像度: 1.13 Å PDB-6tdt: Thrombin in Complex with a D-DiPhe-Pro-p-pyridine derivative 手法: X-RAY DIFFRACTION / 解像度: 1.53 Å
化合物	ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-NA: Unknown entry / ナトリウムカチオン ChemComp-NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose / N-アセチル-β-D-グルコサミン ChemComp-PO4: PHOSPHATE ION / ホスファ-ト ChemComp-GOZ: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[[2,6-bis(azanyl)pyridin-4-yl]methyl]pyrrolidine-2-carboxamide ChemComp-HOH: WATER ChemComp-CA: Unknown entry / カルシウムジカチオン ChemComp-LXW: (2~{S})-1-[(2~{R})-2-azanyl-3,3-diphenyl-propanoyl]-~{N}-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-M6Q: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(2-azanylpyridin-4-yl)methyl]pyrrolidine-2-carboxamide ChemComp-J5K*: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide
由来	homo sapiens (ヒト) hirudo medicinalis (医用ビル) bos taurus (ウシ)
キーワード	HYDROLASE / COAGULATION / BLOOD CLOTTING / CONVERTION OF FIBRINOGEN TO FIBRIN / BLOOD CLOTTING INHIBITOR / THROMBIN INHIBITOR / PREORGANIZATION / GLYCOSYLATION / BLOOD / PROTEASE / SERINE PROTEASE / DIGESTION / METAL ION BINDING