8Q0T
Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity
Summary for 8Q0T
Entry DOI | 10.2210/pdb8q0t/pdb |
Descriptor | Polyketide synthase Pks13, 3-(3,4-dimethoxyphenyl)-~{N}-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide (3 entities in total) |
Functional Keywords | inhibitor complex, transferase |
Biological source | Mycobacterium tuberculosis |
Total number of polymer chains | 2 |
Total formula weight | 64382.33 |
Authors | Eadsforth, T.C.,Punekar, A.S.,Green, S.R.,Baragana, B. (deposition date: 2023-07-29, release date: 2023-11-22, Last modification date: 2023-12-06) |
Primary citation | Green, S.R.,Wilson, C.,Eadsforth, T.C.,Punekar, A.S.,Tamaki, F.K.,Wood, G.,Caldwell, N.,Forte, B.,Norcross, N.R.,Kiczun, M.,Post, J.M.,Lopez-Roman, E.M.,Engelhart, C.A.,Lukac, I.,Zuccotto, F.,Epemolu, O.,Boshoff, H.I.M.,Schnappinger, D.,Walpole, C.,Gilbert, I.H.,Read, K.D.,Wyatt, P.G.,Baragana, B. Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity. J.Med.Chem., 66:15380-15408, 2023 Cited by PubMed: 37948640DOI: 10.1021/acs.jmedchem.3c01514 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
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