| タイトル | Discovery of Subnanomolar Inhibitors of 4-Hydroxyphenylpyruvate Dioxygenase via Structure-Based Rational Design. |
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| ジャーナル・号・ページ | J. Agric. Food Chem., Vol. 71, Page 1170-1177, Year 2023 |
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| 掲載日 | 2022年3月5日 (構造データの登録日) |
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著者 | Dong, J. / Yu, X.H. / Yan, Y.C. / Nan, J.X. / Ye, B.Q. / Yang, W.C. / Lin, H.Y. / Yang, G.F. |
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リンク | J. Agric. Food Chem. / PubMed:36599124 |
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| 手法 | X線回折 |
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| 解像度 | 1.498 - 2.288 Å |
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| 構造データ | PDB-7x5y: Crystal structure of AtHPPD-Y14240 complex 手法: X-RAY DIFFRACTION / 解像度: 1.498 Å PDB-7x5z: Crystal structure of AtHPPD-Y13162 complex 手法: X-RAY DIFFRACTION / 解像度: 1.688 Å PDB-7x62: Crystal structure of AtHPPD-Y191051 complex 手法: X-RAY DIFFRACTION / 解像度: 2.004 Å PDB-7x64: Crystal structure of AtHPPD-Y18027 complex 手法: X-RAY DIFFRACTION / 解像度: 2.288 Å PDB-7x67: Crystal structure of AtHPPD-Y18406 complex 手法: X-RAY DIFFRACTION / 解像度: 1.996 Å PDB-7x69: Crystal structure of AtHPPD-Y191053 complex 手法: X-RAY DIFFRACTION / 解像度: 1.797 Å PDB-7x8h: Crystal structure of AtHPPD-(+)-Usnic acid complex 手法: X-RAY DIFFRACTION / 解像度: 1.986 Å PDB-7x8i: Crystal structure of AtHPPD-Shikonin complex 手法: X-RAY DIFFRACTION / 解像度: 2.096 Å PDB-7xvh: Crystal structure of AtHPPD-Y13287 complex 手法: X-RAY DIFFRACTION / 解像度: 1.83 Å PDB-8how: Crystal structure of AtHPPD-Y191052 complex 手法: X-RAY DIFFRACTION / 解像度: 1.79 Å |
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| 化合物 | ChemComp-HZS: (1R,3S)-5-methyl-2-[(1S)-2-naphthalen-1-yloxy-1-oxidanyl-ethyl]cyclohexane-1,3-diol
ChemComp-9WC: 1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazoline-2,4-dione
ChemComp-9XI: 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazoline-2,4-dione
ChemComp-9XU: 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(phenylmethyl)quinazoline-2,4-dione
ChemComp-9ZH: 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-phenylpropyl)quinazoline-2,4-dione
ChemComp-9ZO: 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(4-phenylbutyl)quinazoline-2,4-dione
ChemComp-AIY: (9bR)-2,6-diethanoyl-8,9b-dimethyl-3,7,9-tris(oxidanyl)dibenzofuran-1-one
ChemComp-FNO: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione
ChemComp-92X: 1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
ChemComp-9YI: 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(2-phenylethyl)quinazoline-2,4-dione
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| 由来 |  arabidopsis thaliana (シロイヌナズナ)
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キーワード | OXIDOREDUCTASE / inhibitor / complex / substrate |
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