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	Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1).
ジャーナル・号・ページ	J. Med. Chem., Vol. 56, Page 10045-, Year 2013
掲載日	2013年9月5日 (構造データの登録日)
著者	Naud, S. / Westwood, I.M. / Faisal, A. / Sheldrake, P.W. / Bavetsias, V. / Atrash, B. / Cheung, K.J. / Liu, M. / Hayes, A. / Schmitt, J. ...Naud, S. / Westwood, I.M. / Faisal, A. / Sheldrake, P.W. / Bavetsias, V. / Atrash, B. / Cheung, K.J. / Liu, M. / Hayes, A. / Schmitt, J. / Wood, A. / Choi, V. / Boxall, K. / Mak, G. / Gurden, M. / Valenti, M. / De-Haven-Brandon, A. / Henley, A. / Baker, R. / Mcandrew, C. / Matijssen, B. / Burke, R. / Hoelder, S. / Eccles, S.A. / Raynaud, F.I. / Linardopoulos, S. / Van Montfort, R.L.M. / Blagg, J.
リンク	J. Med. Chem. / PubMed:24256217
手法	X線回折
解像度	2.36 - 2.8 Å
構造データ	PDB-4c4e: Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-4c4f: Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 手法: X-RAY DIFFRACTION / 解像度: 2.36 Å PDB-4c4g: Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 手法: X-RAY DIFFRACTION / 解像度: 2.65 Å PDB-4c4h: Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å PDB-4c4i: Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 手法: X-RAY DIFFRACTION / 解像度: 2.65 Å PDB-4c4j: Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å
化合物	ChemComp-4T9: N-(3,4-dimethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine ChemComp-1PE: PENTAETHYLENE GLYCOL / 沈殿剤YM ChemComp-7PE: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL ChemComp-HOH: WATER ChemComp-7CE: N-(2-methoxyphenyl)-2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine ChemComp-EDO: 1,2-ETHANEDIOL ChemComp-7RO: tert-butyl 6-((2-chloro-4-(dimethylcarbamoyl)phenyl)amino)-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate ChemComp-X20: tert-butyl 6-{[2-chloro-4-(dimethylcarbamoyl)phenyl]amino}-2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate ChemComp-X21*: tert-butyl 6-{[2-chloro-4-(1-methyl-1H-imidazol-5-yl)phenyl]amino}-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate
由来	homo sapiens (ヒト)
キーワード	TRANSFERASE / MPS1 / TTK / PROTEIN KINASE / MITOSIS / STRUCTURE-BASED DESIGN / STRUCTURE-BASED DRUG DESIGN