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	In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
ジャーナル・号・ページ	J. Appl. Crystallogr., Vol. 44, Page 798-804, Year 2011
掲載日	2011年1月5日 (構造データの登録日)
著者	Yamane, J. / Yao, M. / Zhou, Y. / Hiramatsu, Y. / Fujiwara, K. / Yamaguchi, T. / Yamaguchi, H. / Togame, H. / Tsujishita, H. / Takemoto, H. / Tanaka, I.
リンク	J. Appl. Crystallogr. / PubMedで検索
手法	X線回折
解像度	1.6 - 1.74 Å
構造データ	PDB-3ati: Crystal structure of trypsin complexed with (3-methoxyphenyl)methanamine 手法: X-RAY DIFFRACTION / 解像度: 1.71 Å PDB-3atk: Crystal structure of trypsin complexed with cycloheptanamine 手法: X-RAY DIFFRACTION / 解像度: 1.74 Å PDB-3atl: Crystal structure of trypsin complexed with benzamidine 手法: X-RAY DIFFRACTION / 解像度: 1.74 Å PDB-3atm: Crystal structure of trypsin complexed with 2-(1H-indol-3-yl)ethanamine 手法: X-RAY DIFFRACTION / 解像度: 1.72 Å PDB-3rxa: Crystal structure of Trypsin complexed with cycloheptanamine 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-3rxb: Crystal structure of Trypsin complexed with 4-guanidinobutanoic acid 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-3rxc: Crystal structure of Trypsin complexed with 2-aminopyridine 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-3rxd: Crystal structure of Trypsin complexed with (3-methoxyphenyl)methanamine 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-3rxe: Crystal structure of Trypsin complexed with benzamide 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-3rxf: Crystal structure of Trypsin complexed with 4-aminopyridine 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-3rxg: Crystal structure of Trypsin complexed with 4-aminocyclohexanol 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-3rxh: Crystal structure of Trypsin complexed with 2-(1H-imidazol-4-yl)ethanamine 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-3rxi: Crystal structure of Trypsin complexed with 2-(1H-indol-3-yl)ethanamine 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-3rxj: Crystal structure of Trypsin complexed with 4-guanidinobenzoic acid 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-3rxk: Crystal structure of Trypsin complexed with methyl 4-amino-1-methyl-pyrrolidine-2-carboxylate 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-3rxl: Crystal structure of Trypsin complexed with (2,5-dimethyl-3-furyl)methanamine 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-3rxm: Crystal structure of Trypsin complexed with [2-(2-thienyl)thiazol-4-yl]methanamine 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-3rxo: Crystal structure of Trypsin complexed with (3-pyrrol-1-ylphenyl)methanamine 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-3rxp: Crystal structure of Trypsin complexed with (1,5-dimethylpyrazol-3-yl)methanamine 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-3rxq: Crystal structure of Trypsin complexed with benzamide (F01 and F05, cocktail experiment) 手法: X-RAY DIFFRACTION / 解像度: 1.68 Å PDB-3rxr: Crystal structure of Trypsin complexed with cycloheptanamine (F01 and F03, cocktail experiment) 手法: X-RAY DIFFRACTION / 解像度: 1.72 Å PDB-3rxs: Crystal structure of Trypsin complexed with (3-methoxyphenyl)methanamine (F04 and A06, cocktail experiment) 手法: X-RAY DIFFRACTION / 解像度: 1.74 Å PDB-3rxt: Crystal structure of Trypsin complexed with (3-methoxyphenyl)methanamin (F04 and F03, cocktail experiment) 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-3rxu: Crystal structure of Trypsin complexed with benzamide (F05 and A06, cocktail experiment) 手法: X-RAY DIFFRACTION / 解像度: 1.68 Å PDB-3rxv: Crystal structure of Trypsin complexed with benzamide (F05 and F03, cocktail experiment) 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å
化合物	ChemComp-CA: Unknown entry / カルシウムジカチオン ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-SZ4: 1-(3-methoxyphenyl)methanamine / 3-メトキシベンジルアミン ChemComp-HOH: WATER ChemComp-SZ1: cycloheptanamine / シクロヘプチルアミン ChemComp-BEN: BENZAMIDINE / ベンズアミジン ChemComp-TSS: 2-(1H-INDOL-3-YL)ETHANAMINE / トリプタミン ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-ALG: 4-carbamimidamidobutanoic acid / 4-グアニジノ酪酸 ChemComp-2AP: 2-AMINOPYRIDINE / 2-アミノピリジン-1-ラジカルカチオン ChemComp-4AP: 4-AMINOPYRIDINE / 4-アミニオピリジン ChemComp-SZ3: trans-4-aminocyclohexanol / 4β-アミノシクロヘキサン-1α-オ-ル ChemComp-HSM: HISTAMINE / ヒスタミン / 神経伝達物質, ホルモンYM ChemComp-GBS: 4-carbamimidamidobenzoic acid / 4-グアニジノ安息香酸 / 抗がん剤, 抗凝固剤, 抗ウイルス剤, プロテアーゼ阻害剤YM ChemComp-SZ8: methyl (4R)-4-amino-1-methyl-L-prolinate ChemComp-SZ9: 1-(2,5-dimethylfuran-3-yl)methanamine ChemComp-SW1: 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine / 2-(2-チエニル)チアゾ-ル-4-メタンアミン ChemComp-SW2: 1-[3-(1H-pyrrol-1-yl)phenyl]methanamine ChemComp-SW3*: 1-(1,5-dimethyl-1H-pyrazol-3-yl)methanamine
由来	bos taurus (ウシ)
キーワード	HYDROLASE/HYDROLASE INHIBITOR / HYDROLASE / SERINE PROTEASE / PROTEIN / INHIBITOR / BOVINE PANCREAS / HYDROLASE-HYDROLASE INHIBITOR complex / Trypsin-like serine proteases