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	Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
ジャーナル・号・ページ	Proc. Natl. Acad. Sci. USA, Vol. 112, Page 15910-15915, Year 2015
掲載日	2015年11月27日 (構造データの登録日)
著者	Ludlow, R.F. / Verdonk, M.L. / Saini, H.K. / Tickle, I.J. / Jhoti, H.
リンク	Proc. Natl. Acad. Sci. USA / PubMed:26655740
手法	X線回折
解像度	1.83 - 2.72 Å
構造データ	PDB-5fp5: Structure of cyclin-dependent kinase 2 with small-molecule ligand 4- fluorobenzoic acid (AT222) in an alternate binding site. 手法: X-RAY DIFFRACTION / 解像度: 2.16 Å PDB-5fp6: Structure of cyclin-dependent kinase 2 with small-molecule ligand 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol (AT17833) in an alternate binding site. 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-5fpd: Structure of heat shock-related 70kDA protein 2 with small-molecule ligand pyrazine-2-carboxamide (AT513) in an alternate binding site. 手法: X-RAY DIFFRACTION / 解像度: 1.97 Å PDB-5fpe: Structure of heat shock-related 70kDA protein 2 with small-molecule ligand 1H-1,2,4-triazol-3-amine (AT485) in an alternate binding site. 手法: X-RAY DIFFRACTION / 解像度: 1.96 Å PDB-5fpm: Structure of heat shock-related 70kDA protein 2 with small-molecule ligand 5-phenyl-1,3,4-oxadiazole-2-thiol (AT809) in an alternate binding site. 手法: X-RAY DIFFRACTION / 解像度: 1.96 Å PDB-5fpn: Structure of heat shock-related 70kDA protein 2 with small-molecule ligand 3,5-dimethyl-1H-pyrazole-4-carboxylic acid (AT9084) in an alternate binding site. 手法: X-RAY DIFFRACTION / 解像度: 1.96 Å PDB-5fpo: Structure of Bacterial DNA Ligase with small-molecule ligand 1H- indazol-7-amine (AT4213) in an alternate binding site. 手法: X-RAY DIFFRACTION / 解像度: 1.83 Å PDB-5fpr: Structure of Bacterial DNA Ligase with small-molecule ligand pyrimidin-2-amine (AT371) in an alternate binding site. 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-5fps: Structure of hepatitis C virus (HCV) full-length NS3 complex with small-molecule ligand 3-aminobenzene-1,2-dicarboxylic acid (AT1246) in an alternate binding site. 手法: X-RAY DIFFRACTION / 解像度: 2.68 Å PDB-5fpt: Structure of hepatitis C virus (HCV) full-length NS3 complex with small-molecule ligand 2-(1-methyl-1H-indol-3-yl)acetic acid (AT3437) in an alternate binding site. 手法: X-RAY DIFFRACTION / 解像度: 2.72 Å PDB-5fpy: Structure of hepatitis C virus (HCV) full-length NS3 complex with small-molecule ligand 5-bromo-1-methyl-1H-indole-2-carboxylic acid (AT21457) in an alternate binding site. 手法: X-RAY DIFFRACTION / 解像度: 2.52 Å
化合物	ChemComp-1Y6: 4-fluorobenzoic acid / 4-フルオロ安息香酸 / 4-Fluorobenzoic acid ChemComp-ACE: ACETYL GROUP / アセトアルデヒド / アセチル基 ChemComp-HOH: WATER / 水 ChemComp-MFZ: 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol ChemComp-PZA: PYRAZINE-2-CARBOXAMIDE / ピラジナミド / 薬剤YM / ピラジナミド ChemComp-3TR: 3-AMINO-1,2,4-TRIAZOLE / アミトロ-ル / 阻害剤YM / アミトロール ChemComp-IWT: 5-PHENYL-1,3,4-OXADIAZOLE-2-THIOL / 5-フェニル-1,3,4-オキサジアゾ-ル-2-チオ-ル ChemComp-KYD: 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID / 3,5-ジメチル-1H-ピラゾ-ル-4-カルボン酸 ChemComp-10L: 1H-indazol-7-amine / 1H-インダゾ-ル-7-アミン ChemComp-SO4: SULFATE ION / 硫酸ジアニオン / 硫酸塩 ChemComp-LGA: PYRIMIDIN-2-AMINE / 2-アミノピリミジン ChemComp-UP8: 3-AMINOBENZENE-1,2-DICARBOXYLIC ACID / 3-アミノフタル酸 / 3-Aminophthalic acid ChemComp-3VY: (1-methyl-1H-indol-3-yl)acetic acid / 1-メチル-1H-インド-ル-3-酢酸 ChemComp-R2N: 5-bromo-1-methyl-1H-indole-2-carboxylic acid / 5-ブロモ-1-メチル-2-インド-ルカルボン酸
由来	homo sapiens (ヒト) staphylococcus aureus (黄色ブドウ球菌) hepatitis c virus (isolate bk) (C型肝炎ウイルス)
キーワード	TRANSFERASE (転移酵素) / KINASE (キナーゼ) / MITOSIS (有糸分裂) / CELL CYCLE (細胞周期) / FRAGMENT SCREENING / ALTERNATE BINDING SITE. / CHAPERONE (シャペロン) / HEAT SHOCK-RELATED PROTEIN / HEAT SHOCK / HSP70 (Hsp70) / HSPA2 / PROTEIN-LIGAND COMPLEX / ALTERNATE BINDING SITE / AT513. / AT485. / AT809. / SIGNALING PROTEIN / AT9084. / LIGASE (リガーゼ) / ANTIBIOTIC DESIGN / AT4213. / AT371. / HYDROLASE (加水分解酵素) / HEPATITIS C VIRUS (C型肝炎ウイルス) / HCV / NS3 COMPLEX / PROTEASE-HELICASE / AT1246. / AT3437. / AT21457.