タイトル | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. |
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ジャーナル・号・ページ | J. Mol. Biol., Vol. 379, Page 991-1016, Year 2008 |
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掲載日 | 2007年3月31日 (構造データの登録日) |
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著者 | Steuber, H. / Heine, A. / Podjarny, A. / Klebe, G. |
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リンク | J. Mol. Biol. / PubMed:18495158 |
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手法 | X線回折 |
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解像度 | 1.42 - 1.75 Å |
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構造データ | PDB-2pd5: Human aldose reductase mutant V47I complexed with zopolrestat 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-2pd9: Human aldose reductase mutant V47I complexed with fidarestat. 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-2pdb: Human aldose reductase mutant F121P complexed with zopolrestat. 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-2pdc: Human aldose reductase mutant F121P complexed with IDD393. 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-2pdf: Human aldose reductase mutant L300P complexed with zopolrestat. 手法: X-RAY DIFFRACTION / 解像度: 1.56 Å PDB-2pdg: Human aldose reductase with uracil-type inhibitor at 1.42A. 手法: X-RAY DIFFRACTION / 解像度: 1.42 Å PDB-2pdh: Human aldose reductase mutant L300P complexed with uracil-type inhibitor at 1.45 A. 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-2pdi: Human aldose reductase mutant L300A complexed with zopolrestat at 1.55 A. 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-2pdj: Human aldose reductase mutant L300A complexed with IDD393. 手法: X-RAY DIFFRACTION / 解像度: 1.57 Å PDB-2pdk: Human aldose reductase mutant L301M complexed with sorbinil. 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-2pdl: Human aldose reductase mutant L301M complexed with tolrestat. 手法: X-RAY DIFFRACTION / 解像度: 1.47 Å PDB-2pdm: Human aldose reductase mutant S302R complexed with zopolrestat. 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-2pdn: Human aldose reductase mutant S302R complexed with uracil-type inhibitor. 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-2pdp: Human aldose reductase mutant S302R complexed with IDD 393. 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-2pdq: Human aldose reductase mutant C303D complexed with uracil-type inhibitor. 手法: X-RAY DIFFRACTION / 解像度: 1.73 Å PDB-2pdu: Human aldose reductase mutant C303D complexed with IDD393. 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-2pdw: Human aldose reductase mutant C303D complexed with fidarestat. 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-2pdx: Human aldose reductase double mutant S302R-C303D complexed with zopolrestat. 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-2pdy: Human aldose reductase double mutant S302R-C303D complexed with fidarestat. 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å |
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化合物 | ChemComp-NAP: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
ChemComp-ZST: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID / ゾポルレスタット
ChemComp-FID: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE / フィダレスタット / 阻害剤*YM
ChemComp-393: (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID
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由来 | homo sapiens (ヒト)
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キーワード | OXIDOREDUCTASE / TIM barrel / V47I mutant / protein-ligand complex / TIM-barrel / mutant |
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