ジャーナル: J.Med.Chem. / 年: 2013 タイトル: Lessons from (S)-6-(1-(6-(1-Methyl-1H-Pyrazol-4-Yl)-[1,2, 4]Triazolo[4,3-B]Pyridazin-3-Yl)Ethyl)Quinoline (Pf-04254644), an Inhibitor of Receptor Tyrosine Kinase C-met with High Protein ...タイトル: Lessons from (S)-6-(1-(6-(1-Methyl-1H-Pyrazol-4-Yl)-[1,2, 4]Triazolo[4,3-B]Pyridazin-3-Yl)Ethyl)Quinoline (Pf-04254644), an Inhibitor of Receptor Tyrosine Kinase C-met with High Protein Kinase Selectivity But Broad Phosphodiesterase Family Inhibition Leading to Myocardial Degeneration in Rats. 著者: Cui, J.J. / Shen, H. / Tran-Dube, M. / Nambu, M. / Mctigue, M. / Grodsky, N. / Ryan, K. / Yamazaki, S. / Aguirre, S. / Parker, M. / Li, Q. / Zou, H. / Christensen, J.
温度: 286 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 4.2 詳細: C-MET COCRYSTALS WERE OBTAINED AT 13 DEGREES C BY THE HANGING DROP VAPOR DIFFUSION METHOD BY MIXING 1.2 MICROLITERS OF PROTEIN SOLUTION (CONTAINING 7-13 MG/ML C-MET KD (RESIDUES 1051-1348) ...詳細: C-MET COCRYSTALS WERE OBTAINED AT 13 DEGREES C BY THE HANGING DROP VAPOR DIFFUSION METHOD BY MIXING 1.2 MICROLITERS OF PROTEIN SOLUTION (CONTAINING 7-13 MG/ML C-MET KD (RESIDUES 1051-1348) WITH A 5 FOLD MOLAR EXCESS OF C-MET INHIBITOR COMPOUND) WITH 1.2 MICROLITERS OF SOLUTION CONTAINING (0.05M CITRATE-PHOSPHATE PH 4.2, 200M NACL, AND 17.4% POLYETHYLENE GLYCOL MW=3350)
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データ収集
回折
平均測定温度: 96 K
放射光源
由来: シンクロトロン / サイト: ALS / ビームライン: 5.0.1 / 波長: 1
検出器
タイプ: ADSC CCD / 検出器: CCD / 日付: 2005年2月26日
放射
プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長
波長: 1 Å / 相対比: 1
反射
解像度: 2.2→50 Å / Num. obs: 15108 / % possible obs: 84.9 % / Observed criterion σ(I): 0 / 冗長度: 2.8 % / Biso Wilson estimate: 12.1 Å2 / Rmerge(I) obs: 0.07 / Net I/σ(I): 13.1
反射 シェル
解像度: 2.2→2.28 Å / 冗長度: 2.8 % / Rmerge(I) obs: 0.28 / Mean I/σ(I) obs: 3.5 / % possible all: 81.2