タイトル | A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 52, Page 2531-2542, Year 2009 |
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掲載日 | 2008年9月22日 (構造データの登録日) |
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著者 | Ramsden, N.L. / Buetow, L. / Dawson, A. / Kemp, L.A. / Ulaganathan, V. / Brenk, R. / Klebe, G. / Hunter, W.N. |
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リンク | J. Med. Chem. / PubMed:19320487 |
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手法 | X線回折 |
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解像度 | 2.1 - 3.1 Å |
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構造データ | PDB-3elc: Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-3eor: Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand 手法: X-RAY DIFFRACTION / 解像度: 2.9 Å PDB-3ern: Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with AraCMP 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-3esj: Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-3fba: Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand 手法: X-RAY DIFFRACTION / 解像度: 3.1 Å |
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化合物 | ChemComp-F01: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one / 5-フルオロシチジン
ChemComp-CC7: 4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1H)-one / cCMP
ChemComp-C6B: [(2S,3S,4R,5S)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
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由来 | - escherichia coli k-12 (大腸菌)
- escherichia coli (大腸菌)
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キーワード | LYASE / MECDP-synthase / Isoprene biosynthesis / Magnesium / Manganese / Metal-binding / lysase |
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