タイトル | Structural and Thermodynamic Insights Into the Binding Mode of Five Novel Inhibitors of Lumazine Synthase from Mycobacterium Tuberculosis. |
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ジャーナル・号・ページ | FEBS J., Vol. 273, Page 4790-, Year 2006 |
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掲載日 | 2005年12月9日 (構造データの登録日) |
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著者 | Morgunova, E. / Illarionov, B. / Sambaiah, T. / Haase, I. / Bacher, A. / Cushman, M. / Fischer, M. / Ladenstein, R. |
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リンク | FEBS J. / PubMed:16984393 |
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手法 | X線回折 |
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解像度 | 1.6 - 2.8 Å |
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構造データ | PDB-2c92: LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) PENTANE 1 PHOSPHATE 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-2c94: LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1,1 difluoropentane-1- PHOSPHATE 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-2c97: LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO 4-(6- chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)butyl phosphate 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-2c9b: Lumazine Synthase from Mycobacterium tuberculosus Bound to 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 手法: X-RAY DIFFRACTION / 解像度: 2.75 Å PDB-2c9d: Lumazine Synthase from Mycobacterium tuberculosis Bound to 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL)HEXANE 1-PHOSPHATE 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å |
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化合物 | ChemComp-TP6: 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1-PHOSPHATE
ChemComp-TSF: 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1,1 DIFLUOROPENTANE-1-PHOSPHATE
ChemComp-JCL: 4-(6-CHLORO-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL) BUTYL PHOSPHATE / JC-33
ChemComp-PUG: 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL)
ChemComp-PHR: 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL ) HEXANE 1-PHOSPHATE
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由来 | - mycobacterium tuberculosis (結核菌)
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キーワード | TRANSFERASE / RIBOFLAVIN BIOSYNTHESIS / MYCOBACTERIUM TUBERCULOSIS / LUMAZINE SYNTHASE / INHIBITOR BINDING |
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