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Title | Optimization of TAM16, a Benzofuran That Inhibits the Thioesterase Activity of Pks13; Evaluation toward a Preclinical Candidate for a Novel Antituberculosis Clinical Target. |
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Journal, issue, pages | J. Med. Chem., Vol. 65, Page 409-423, Year 2022 |
Publish date | Mar 29, 2021 (structure data deposition date) |
![]() | Wilson, C. / Ray, P. / Zuccotto, F. / Hernandez, J. / Aggarwal, A. / Mackenzie, C. / Caldwell, N. / Taylor, M. / Huggett, M. / Mathieson, M. ...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. |
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Methods | X-ray diffraction |
Resolution | 2.29 Å |
Structure data | ![]() PDB-7m7v: |
Chemicals | ![]() ChemComp-Z3J: ![]() ChemComp-HOH: |
Source |
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![]() | TRANSFERASE/INHIBITOR / Thioesterase domain / Compound 6 complex / Pks13 / Mycobacterium / polyketide synthase / mycolic acid condensation / alpha/beta hydrolase / thioesterase / TRANSFERASE-TRANSFERASE INHIBITOR complex / TRANSFERASE / TRANSFERASE-INHIBITOR complex |