タイトル | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. |
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ジャーナル・号・ページ | J. Comput. Aided Mol. Des., Vol. 26, Page 497-, Year 2012 |
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掲載日 | 2011年12月8日 (構造データの登録日) |
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著者 | Newman, J. / Dolezal, O. / Fazio, V. / Caradoc-Davies, T. / Peat, T.S. |
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リンク | J. Comput. Aided Mol. Des. / PubMed:22187139 |
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手法 | X線回折 |
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解像度 | 1.2 - 1.6 Å |
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構造データ | PDB-4ab8: Fragments bound to bovine trypsin for the SAMPL challenge 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-4ab9: Fragments bound to bovine trypsin for the SAMPL challenge 手法: X-RAY DIFFRACTION / 解像度: 1.2 Å PDB-4aba: Fragments bound to bovine trypsin for the SAMPL challenge 手法: X-RAY DIFFRACTION / 解像度: 1.25 Å PDB-4abb: Fragments bound to bovine trypsin for the SAMPL challenge 手法: X-RAY DIFFRACTION / 解像度: 1.25 Å PDB-4abd: Fragments bound to bovine trypsin for the SAMPL challenge 手法: X-RAY DIFFRACTION / 解像度: 1.25 Å PDB-4abe: Fragments bound to bovine trypsin for the SAMPL challenge 手法: X-RAY DIFFRACTION / 解像度: 1.3 Å PDB-4abf: Fragments bound to bovine trypsin for the SAMPL challenge 手法: X-RAY DIFFRACTION / 解像度: 1.3 Å PDB-4abg: Fragments bound to bovine trypsin for the SAMPL challenge 手法: X-RAY DIFFRACTION / 解像度: 1.52 Å PDB-4abh: Fragments bound to bovine trypsin for the SAMPL challenge 手法: X-RAY DIFFRACTION / 解像度: 1.25 Å |
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化合物 | ChemComp-VXU: 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine
ChemComp-VXQ: 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine
ChemComp-91B: 1-[3-(4-METHYLPIPERAZIN-1-YL)PHENYL]METHANAMINE
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由来 | - bos taurus (ウシ)
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キーワード | HYDROLASE / FRAGMENT SCREENING / MODELLING |
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