タイトル | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. |
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ジャーナル・号・ページ | Biomolecules, Vol. 10, Year 2020 |
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掲載日 | 2016年10月27日 (構造データの登録日) |
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著者 | Glockner, S. / Heine, A. / Klebe, G. |
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リンク | Biomolecules / PubMed:32235320 |
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手法 | X線回折 |
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解像度 | 0.95 - 1.68 Å |
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構造データ | PDB-5m78: Human Carbonic Anhydrase II in complex with fragment-like inhibitor. 手法: X-RAY DIFFRACTION / 解像度: 1.077 Å PDB-6rm1: Human Carbonic Anhydrase II in complex with fragment. 手法: X-RAY DIFFRACTION / 解像度: 1.68 Å PDB-6rmp: Human Carbonic Anhydrase II in complex with fragment. 手法: X-RAY DIFFRACTION / 解像度: 1.22 Å PDB-6s9z: Expression tag modified N-terminus of human Carbonic Anhydrase II covalently linked to fragment 手法: X-RAY DIFFRACTION / 解像度: 0.95 Å PDB-6sac: N-terminal expression tag remainder of human Carbonic Anhydrase II covalently modified by fragment 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-6sas: Human Carbonic Anhydrase II in complex with fragment. 手法: X-RAY DIFFRACTION / 解像度: 1.1 Å PDB-6say: Human Carbonic Anhydrase II in complex with fragment. 手法: X-RAY DIFFRACTION / 解像度: 0.95 Å PDB-6sb7: Human Carbonic Anhydrase II in complex with fragment. 手法: X-RAY DIFFRACTION / 解像度: 1.09 Å PDB-6sdj: Human Carbonic Anhydrase II in complex with (R)-1-aminopropan-2-ol 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å |
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化合物 | ChemComp-VKL: 3-[3,4-bis(fluoranyl)phenyl]-5-methyl-1$l^{4},4,5$l^{4},7-tetrazabicyclo[4.3.0]nona-1(6),2,4-triene
ChemComp-47J: 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine
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由来 | homo sapiens (ヒト)
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キーワード | LYASE / PROTEIN-LIGAND-COMPLEX / Inhibitor / Complex / CO2 conversion / fragment |
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