タイトル | Rescoring docking hit lists for model cavity sites: predictions and experimental testing. |
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ジャーナル・号・ページ | J. Mol. Biol., Vol. 377, Page 914-934, Year 2008 |
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掲載日 | 2007年9月17日 (構造データの登録日) |
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著者 | Graves, A.P. / Shivakumar, D.M. / Boyce, S.E. / Jacobson, M.P. / Case, D.A. / Shoichet, B.K. |
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リンク | J. Mol. Biol. / PubMed:18280498 |
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手法 | X線回折 |
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解像度 | 1.24 - 2.49 Å |
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構造データ | PDB-2ray: beta-chlorophenetole in complex with T4 lysozyme L99A 手法: X-RAY DIFFRACTION / 解像度: 1.798 Å PDB-2raz: 4-(methylthio)nitrobenzene in complex with T4 lysozyme L99A 手法: X-RAY DIFFRACTION / 解像度: 1.641 Å PDB-2rb0: 2,6-difluorobenzylbromide complex with T4 lysozyme L99A 手法: X-RAY DIFFRACTION / 解像度: 1.84 Å PDB-2rb1: 2-ethoxyphenol in complex with T4 lysozyme L99A 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-2rb2: 3-methylbenzylazide in complex with T4 lysozyme L99A 手法: X-RAY DIFFRACTION / 解像度: 1.463 Å PDB-2rbn: N-phenylglycinonitrile in complex with T4 lysozyme L99A/M102Q 手法: X-RAY DIFFRACTION / 解像度: 1.29 Å PDB-2rbo: 2-nitrothiophene in complex with T4 lysozyme L99A/M102Q 手法: X-RAY DIFFRACTION / 解像度: 1.29 Å PDB-2rbp: 2-(n-propylthio)ethanol in complex with T4 lysozyme L99A/M102Q 手法: X-RAY DIFFRACTION / 解像度: 1.467 Å PDB-2rbq: 3-methylbenzylazide in complex with T4 L99A/M102Q 手法: X-RAY DIFFRACTION / 解像度: 1.633 Å PDB-2rbr: 2-phenoxyethanol in complex with T4 lysozyme L99A/M102Q 手法: X-RAY DIFFRACTION / 解像度: 1.433 Å PDB-2rbs: (r)(+)-3-chloro-1-phenyl-1-propanol in complex with T4 lysozyme L99A/M102Q 手法: X-RAY DIFFRACTION / 解像度: 1.557 Å PDB-2rbt: n-methylbenzylamine in complex with Cytochrome C Peroxidase W191G 手法: X-RAY DIFFRACTION / 解像度: 1.24 Å PDB-2rbu: Cytochrome C Peroxidase in complex with cyclopentane-carboximidamide 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-2rbv: Cytochrome C Peroxidase in complex with (1-methyl-1h-pyrrol-2-yl)-methylamine 手法: X-RAY DIFFRACTION / 解像度: 1.39 Å PDB-2rbw: Cytochrome C Peroxidase W191G in complex with 1,2-dimethyl-1h-pyridin-5-amine 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-2rbx: Cytochrome C Peroxidase W191G in complex with pyrimidine-2,4,6-triamine. 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-2rby: 1-methyl-5-imidazolecarboxaldehyde in complex with Cytochrome C Peroxidase W191G 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-2rbz: Cytochrome C Peroxidase W191G in complex 3-methoxypyridine 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-2rc0: Cytochrome C Peroxidase W191G in complex with 2-imino-4-methylpiperdine 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-2rc1: Cytochrome C Peroxidase W191G in complex with 2,4,5-trimethyl-3-oxazoline 手法: X-RAY DIFFRACTION / 解像度: 2.49 Å PDB-2rc2: Cytochrome C Peroxidase W191G in complex with 1-methyl-2-vinyl-pyridinium 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å |
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化合物 | ChemComp-284: (4S)-4-methyl-1,4,5,6-tetrahydropyridin-2-amine
ChemComp-285: (2R,4R,5R)-2,4,5-trimethyl-1,3-oxazolidine
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由来 | - enterobacteria phage t4 (ファージ)
- bacteriophage t4 (ファージ)
- saccharomyces cerevisiae (パン酵母)
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キーワード | HYDROLASE / protein cavities / OXIDOREDUCTASE |
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