タイトル | Identification of a New Zinc Binding Chemotype by Fragment Screening. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 60, Page 7333-7349, Year 2017 |
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掲載日 | 2016年11月17日 (構造データの登録日) |
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著者 | Chrysanthopoulos, P.K. / Mujumdar, P. / Woods, L.A. / Dolezal, O. / Ren, B. / Peat, T.S. / Poulsen, S.A. |
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リンク | J. Med. Chem. / PubMed:28817930 |
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手法 | X線回折 |
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解像度 | 1.206 - 1.6 Å |
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構造データ | PDB-5txy: Identification of a New Zinc Binding Chemotype of by Fragment Screening on human carbonic anhydrase 手法: X-RAY DIFFRACTION / 解像度: 1.206 Å PDB-5ty1: Identification of a New Zinc Binding Chemotype by Fragment Screening 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-5ty8: Identification of a New Zinc Binding Chemotype by Fragment Screening 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-5ty9: Identification of a New Zinc Binding Chemotype by Fragment Screening 手法: X-RAY DIFFRACTION / 解像度: 1.53 Å PDB-5tya: Identification of a New Zinc Binding Chemotype by Fragment Screening 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-5u0d: Identification of a New Zinc Binding Chemotype by Fragment Screening 手法: X-RAY DIFFRACTION / 解像度: 1.59 Å PDB-5u0e: Identification of a New Zinc Binding Chemotype by Fragment Screening 手法: X-RAY DIFFRACTION / 解像度: 1.27 Å PDB-5u0f: Identification of a New Zinc Binding Chemotype by Fragment Screening 手法: X-RAY DIFFRACTION / 解像度: 1.21 Å PDB-5u0g: Identification of a New Zinc Binding Chemotype by Fragment Screening 手法: X-RAY DIFFRACTION / 解像度: 1.54 Å PDB-5vgy: Identification of a New Zinc Binding Chemotype by Fragment Screening 手法: X-RAY DIFFRACTION / 解像度: 1.39 Å |
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化合物 | ChemComp-7QV: (5R)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione
ChemComp-7QS: (5R)-5-phenyl-1,3-thiazolidine-2,4-dione
ChemComp-7R7: (5R)-5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one
ChemComp-7R4: (5R)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one
ChemComp-7R1: (5R)-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
ChemComp-7QY: (5R)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
ChemComp-9AA: (5S)-5-[(2,4-dimethoxyphenyl)methyl]-5-hydroxy-2-sulfanylideneimidazolidin-4-one
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由来 | - homo sapiens (ヒト)
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キーワード | LYASE / human carbonic anhydrase / Zinc Binding Chemotype / crystal / crystallization / Fragment screening / carbonic anhydrase / LYASE/LYASE inhibitor / LYASE-LYASE inhibitor complex |
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