5OIP
InhA (T2A mutant) complexed with 1-(Pyridin-3-ylmethyl)-3-(1-(pyrimidin-2-yl)piperidin-4-yl)urea
5OIP の概要
エントリーDOI | 10.2210/pdb5oip/pdb |
分子名称 | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 1-(pyridin-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea, ... (5 entities in total) |
機能のキーワード | inhibitor, complex, fragment based drug discovery, tuberculosis, oxidoreductase |
由来する生物種 | Mycobacterium tuberculosis |
タンパク質・核酸の鎖数 | 1 |
化学式量合計 | 29595.52 |
構造登録者 | |
主引用文献 | Prati, F.,Zuccotto, F.,Fletcher, D.,Convery, M.A.,Fernandez-Menendez, R.,Bates, R.,Encinas, L.,Zeng, J.,Chung, C.W.,De Dios Anton, P.,Mendoza-Losana, A.,Mackenzie, C.,Green, S.R.,Huggett, M.,Barros, D.,Wyatt, P.G.,Ray, P.C. Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA. ChemMedChem, 13:672-677, 2018 Cited by PubMed: 29399991DOI: 10.1002/cmdc.201700774 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (1.71 Å) |
構造検証レポート
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