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	Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.
ジャーナル・号・ページ	J. Med. Chem., Vol. 61, Page 4397-4411, Year 2018
掲載日	2016年8月8日 (構造データの登録日)
著者	Schuetz, D.A. / Richter, L. / Amaral, M. / Grandits, M. / Gradler, U. / Musil, D. / Buchstaller, H.P. / Eggenweiler, H.M. / Frech, M. / Ecker, G.F.
リンク	J. Med. Chem. / PubMed:29701469
手法	X線回折
解像度	1.54 - 2.7 Å
構造データ	PDB-5lny: HSP90 WITH indazole derivative 手法: X-RAY DIFFRACTION / 解像度: 1.88 Å PDB-5lnz: HSP90 WITH indazole derivative 手法: X-RAY DIFFRACTION / 解像度: 1.54 Å PDB-5lo0: HSP90 WITH indazole derivative 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-5lo1: HSP90 WITH indazole derivative 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-5nyh: Crystal Structure of Hsp90-alpha N-Domain in complex with Indazole derivative 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-5oci: Human Heat Shock Protein 90 bound to 6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide 手法: X-RAY DIFFRACTION / 解像度: 1.62 Å PDB-5od7: Hsp90 inhibitor desolvation as a rationale to steer on-rates and impact residence time 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-5odx: Crystal Structure of Hsp90-alpha N-Domain in complex with Indazole derivative 手法: X-RAY DIFFRACTION / 解像度: 1.82 Å
化合物	ChemComp-70K: 6-Hydroxy-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide ChemComp-HOH: WATER ChemComp-70Z: ~{N}3-butyl-~{N}3,~{N}5-dimethyl-~{N}5-(4-morpholin-4-ylphenyl)-6-oxidanyl-2~{H}-indazole-3,5-dicarboxamide ChemComp-70N: [2-azanyl-6-[4,5-bis(fluoranyl)-2-(4-methylpiperazin-1-yl)sulfonyl-phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone ChemComp-70L: 1-[2-Amino-4-(1,3-dihydro-isoindole-2-carbonyl)-quinazolin-6-yl]-cyclobutanecarboxylic acid ethylamide ChemComp-9EK: ~{N}-methyl-~{N}-(4-morpholin-4-ylphenyl)-6-oxidanyl-3-pyrrolidin-1-ylcarbonyl-2~{H}-indazole-5-carboxamide ChemComp-9R8: 6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide ChemComp-H0T: [2-azanyl-6-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone ChemComp-9RZ: 3-[(3~{S})-3-methoxypiperidin-1-yl]carbonyl-~{N}-methyl-~{N}-(4-morpholin-4-ylphenyl)-6-oxidanyl-1~{H}-indazole-5-carboxamide ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤*YM
由来	homo sapiens (ヒト)
キーワード	CHAPERONE / HEAT-SHOCK PROTEIN COMPLEX / HSP90 / ATPASE / PYRAZOLE / ATP-BINDING / HEAT SHOCK / NUCLEOTIDE-BINDING / PHOSPHORYLATION