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	Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
ジャーナル・号・ページ	J Biomol Screen, Vol. 19, Page 497-507, Year 2014
掲載日	2013年7月8日 (構造データの登録日)
著者	Recht, M.I. / Sridhar, V. / Badger, J. / Bounaud, P.Y. / Logan, C. / Chie-Leon, B. / Nienaber, V. / Torres, F.E.
リンク	J Biomol Screen / PubMed:24375910
手法	X線回折
解像度	1.48 - 2.81 Å
構造データ	PDB-4lkq: Crystal structure of PDE10A2 with fragment ZT017 手法: X-RAY DIFFRACTION / 解像度: 1.62 Å PDB-4llj: Crystal structure of PDE10A2 with fragment ZT214 手法: X-RAY DIFFRACTION / 解像度: 1.56 Å PDB-4llk: Crystal structure of PDE10A2 with fragment ZT217 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-4llp: Crystal structure of PDE10A2 with fragment ZT401 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-4llx: Crystal structure of PDE10A2 with fragment ZT434 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-4lm0: Crystal structure of PDE10A2 with fragment ZT448 手法: X-RAY DIFFRACTION / 解像度: 1.66 Å PDB-4lm1: Crystal structure of PDE10A2 with fragment ZT450 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-4lm2: Crystal structure of PDE10A2 with fragment ZT462 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-4lm3: Crystal structure of PDE10A2 with fragment ZT464 手法: X-RAY DIFFRACTION / 解像度: 1.49 Å PDB-4lm4: Crystal structure of PDE10A2 with fragment ZT902 手法: X-RAY DIFFRACTION / 解像度: 1.48 Å PDB-4mrw: Crystal structure of PDE10A2 with fragment ZT0120 (7-chloroquinolin-4-ol) 手法: X-RAY DIFFRACTION / 解像度: 1.96 Å PDB-4mrz: Crystal structure of PDE10A2 with fragment ZT0429 (4-methyl-3-nitropyridin-2-amine) 手法: X-RAY DIFFRACTION / 解像度: 1.58 Å PDB-4ms0: Crystal structure of PDE10A2 with fragment ZT0443 (6-chloropyrimidine-2,4-diamine) 手法: X-RAY DIFFRACTION / 解像度: 1.79 Å PDB-4msa: Crystal structure of PDE10A2 with fragment ZT0449 (5-nitro-1H-benzimidazole) 手法: X-RAY DIFFRACTION / 解像度: 1.62 Å PDB-4msc: Crystal structure of PDE10A2 with fragment ZT1595 (2-[(quinolin-7-yloxy)methyl]quinoline) 手法: X-RAY DIFFRACTION / 解像度: 2.47 Å PDB-4mse: Crystal structure of PDE10A2 with fragment ZT1597 (2-({[(2S)-2-methyl-2,3-dihydro-1,3-benzothiazol-5-yl]oxy}methyl)quinoline) 手法: X-RAY DIFFRACTION / 解像度: 2.81 Å PDB-4msh: Crystal Structure of PDE10A2 with fragment ZT0143 ((2S)-4-chloro-2,3-dihydro-1,3-benzothiazol-2-amine) 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-4msn: Crystal structure of PDE10A2 with fragment ZT0451 (8-nitroquinoline) 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å
化合物	ChemComp-1XM: 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione / 4-アミノ-1H-ピラゾロ[3,4-d]ピリミジン-6-チオ-ル ChemComp-NI: NICKEL (II) ION ChemComp-HOH: WATER ChemComp-1XN: 2H-isoindole-1,3-diamine ChemComp-MEW: 2-methylquinazolin-4(3H)-one / 2-メチルキナゾリン-4(3H)-オン ChemComp-4ZE: 4-amino-2-methylphenol / p-アミノ-o-クレゾ-ル ChemComp-5ZE: 4,6-dimethylpyrimidin-2-amine / 2-アミノ-4,6-ジメチルピリミジン ChemComp-5NI: 5-NITROINDAZOLE / 阻害剤YM ChemComp-7ZE: 5-nitroquinoline ChemComp-8ZE: 2,3-dihydro-1,4-benzodioxin-6-ylmethanol / 2,3-ジヒドロ-1,4-ベンゾジオキシン-6-メタノ-ル ChemComp-9ZE: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone / 6-アセチル-2,3-ジヒドロ-1,4-ベンゾジオキシン ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-JPZ: quinazolin-4(1H)-one / キナゾリン-4(3H)-オン ChemComp-MRW: 7-chloroquinolin-4-ol / 7-クロロキノリン-4-オ-ル ChemComp-2ZV: 4-methyl-3-nitropyridin-2-amine ChemComp-2ZX: 6-chloropyrimidine-2,4-diamine / 6-クロロピリミジン-2,4-ジアミン ChemComp-2ZM: 5-nitro-1H-benzimidazole ChemComp-2ZT: 2-[(quinolin-7-yloxy)methyl]quinoline ChemComp-2ZU: 2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline ChemComp-2D0: 4-chloro-1,3-benzothiazol-2-amine / 4-クロロベンゾチアゾ-ル-2-アミン ChemComp-2ZQ*: 8-nitroquinoline
由来	homo sapiens (ヒト)
キーワード	HYDROLASE/HYDROLASE INHIBITOR / fragment screening / hydrolase / HYDROLASE-HYDROLASE INHIBITOR complex