7M7V
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with Compound 6
7M7V の概要
エントリーDOI | 10.2210/pdb7m7v/pdb |
分子名称 | Polyketide synthase Pks13, 5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide (3 entities in total) |
機能のキーワード | thioesterase domain, compound 6 complex, pks13, mycobacterium, polyketide synthase, mycolic acid condensation, alpha/beta hydrolase, thioesterase, transferase-transferase inhibitor complex, transferase, transferase-inhibitor complex, transferase/inhibitor |
由来する生物種 | Mycobacterium tuberculosis |
タンパク質・核酸の鎖数 | 2 |
化学式量合計 | 64372.38 |
構造登録者 | |
主引用文献 | Wilson, C.,Ray, P.,Zuccotto, F.,Hernandez, J.,Aggarwal, A.,Mackenzie, C.,Caldwell, N.,Taylor, M.,Huggett, M.,Mathieson, M.,Murugesan, D.,Smith, A.,Davis, S.,Cocco, M.,Parai, M.K.,Acharya, A.,Tamaki, F.,Scullion, P.,Epemolu, O.,Riley, J.,Stojanovski, L.,Lopez-Roman, E.M.,Torres-Gomez, P.A.,Toledo, A.M.,Guijarro-Lopez, L.,Camino, I.,Engelhart, C.A.,Schnappinger, D.,Massoudi, L.M.,Lenaerts, A.,Robertson, G.T.,Walpole, C.,Matthews, D.,Floyd, D.,Sacchettini, J.C.,Read, K.D.,Encinas, L.,Bates, R.H.,Green, S.R.,Wyatt, P.G. Optimization of TAM16, a Benzofuran That Inhibits the Thioesterase Activity of Pks13; Evaluation toward a Preclinical Candidate for a Novel Antituberculosis Clinical Target. J.Med.Chem., 65:409-423, 2022 Cited by PubMed: 34910486DOI: 10.1021/acs.jmedchem.1c01586 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (2.29 Å) |
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