7K12

ACMSD in complex with diflunisal

Summary for 7K12

• Entry DOI: 10.2210/pdb7k12/pdb
• Descriptor: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, ZINC ION, 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID, ... (5 entities in total)
• Functional Keywords: fda-approved drugs, nad+, neuropsychiatric disorders, decarboxylase, lyase
• Biological source: Pseudomonas fluorescens
• Total number of polymer chains: 2
• Total formula weight: 80134.52

Authors

Yang, Y.,Liu, A. (deposition date: 2020-09-07, release date: 2021-01-13, Last modification date: 2023-10-18)

• Primary citation: Yang, Y.,Borel, T.,de Azambuja, F.,Johnson, D.,Sorrentino, J.P.,Udokwu, C.,Davis, I.,Liu, A.,Altman, R.A.; Diflunisal Derivatives as Modulators of ACMS Decarboxylase Targeting the Tryptophan-Kynurenine Pathway.; J.Med.Chem., 64:797-811, 2021; PubMed: 33369426; DOI: 10.1021/acs.jmedchem.0c01762

Experimental method

X-RAY DIFFRACTION (2.17 Å)