Entry Database : PDB / ID : 8q0t Structure visualization Downloads & linksTitle Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity ComponentsPolyketide synthase Pks13 Details Keywords TRANSFERASE / inhibitor complexFunction / homology Function and homology informationFunction Domain/homology Component
DIM/DIP cell wall layer assembly / fatty acid synthase activity / secondary metabolite biosynthetic process / phosphopantetheine binding / 3-oxoacyl-[acyl-carrier-protein] synthase activity / Transferases; Acyltransferases; Transferring groups other than aminoacyl groups / fatty acid biosynthetic process / plasma membrane / cytoplasm Similarity search - Function Thioesterase / Thioesterase domain / Malonyl-CoA ACP transacylase, ACP-binding / Polyketide synthase, C-terminal extension / Ketoacyl-synthetase C-terminal extension / Acyl transferase domain superfamily / Acyl transferase / Acyl transferase domain / Acyl transferase domain in polyketide synthase (PKS) enzymes. / Acyl transferase/acyl hydrolase/lysophospholipase ... Thioesterase / Thioesterase domain / Malonyl-CoA ACP transacylase, ACP-binding / Polyketide synthase, C-terminal extension / Ketoacyl-synthetase C-terminal extension / Acyl transferase domain superfamily / Acyl transferase / Acyl transferase domain / Acyl transferase domain in polyketide synthase (PKS) enzymes. / Acyl transferase/acyl hydrolase/lysophospholipase / Ketosynthase family 3 (KS3) domain profile. / Polyketide synthase, phosphopantetheine-binding domain / Phosphopantetheine attachment site / Beta-ketoacyl synthase / Beta-ketoacyl synthase, active site / Ketosynthase family 3 (KS3) active site signature. / Polyketide synthase, beta-ketoacyl synthase domain / Beta-ketoacyl synthase, N-terminal / Beta-ketoacyl synthase, C-terminal / Beta-ketoacyl synthase, N-terminal domain / Beta-ketoacyl synthase, C-terminal domain / Thiolase-like / Phosphopantetheine attachment site / ACP-like superfamily / Carrier protein (CP) domain profile. / Phosphopantetheine binding ACP domain / Alpha/Beta hydrolase fold Similarity search - Domain/homologyBiological species Mycobacterium tuberculosis (bacteria)Method X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution : 1.8 Å DetailsAuthors Eadsforth, T.C. / Punekar, A.S. / Green, S.R. / Baragana, B. Funding support United Kingdom, United States, 2items Details Hide detailsOrganization Grant number Country Wellcome Trust 100195/Z/12/Z United Kingdom Bill & Melinda Gates Foundation OPP1066891 United States
CitationJournal : J.Med.Chem. / Year : 2023Title : Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity.Authors: 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. ... Authors : 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. History Deposition Jul 29, 2023 Deposition site : PDBE / Processing site : PDBERevision 1.0 Nov 22, 2023 Provider : repository / Type : Initial releaseRevision 1.1 Dec 6, 2023 Group : Database references / Category : citation / citation_authorItem : _citation.journal_volume / _citation.page_first ... _citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID
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