7M7V

Name : Crystal Structure of Mtb Pks13 Thioesterase domain in complex with Compound 6 Optimization of TAM16

Revelation date : 16-Feb-2022

Family : Thioesterase

Gene_locus : myctu-PKS13

PDB file : ESTHER: header of PDB entry RCSB: Full entry

Comment
Aggarwal, A., Sacchettini, J.C. (4OA1 withdrawn)

Ligand :

References (1)

Title : Optimization of TAM16, a Benzofuran That Inhibits the Thioesterase Activity of Pks13\; Evaluation toward a Preclinical Candidate for a Novel Antituberculosis Clinical Target - Wilson_2022_J.Med.Chem_65_409
Author(s) : 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 MK , Acharya A , Tamaki F , Scullion P , Epemolu O , Riley J , Stojanovski L , Lopez-Roman EM , Torres-Gomez PA , Toledo AM , Guijarro-Lopez L , Camino I , Engelhart CA , Schnappinger D , Massoudi LM , Lenaerts A , Robertson GT , Walpole C , Matthews D , Floyd D , Sacchettini JC , Read KD , Encinas L , Bates RH , Green SR , Wyatt PG
Ref : Journal of Medicinal Chemistry , 65 :409 , 2022
Abstract : Wilson_2022_J.Med.Chem_65_409
ESTHER : Wilson_2022_J.Med.Chem_65_409
PubMedSearch : Wilson_2022_J.Med.Chem_65_409
PubMedID: 34910486
Gene_locus related to this paper: myctu-PKS13

Representative scheme of Prolylcarboxypeptidase structure and an image from PDBsum server

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