6W45

Crystal structure of HAO1 in complex with biaryl acid inhibitor - compound 3

Summary for 6W45

Entry DOI	10.2210/pdb6w45/pdb
Descriptor	Hydroxyacid oxidase 1, 2-chloranyl-4-[2-[[(6-chloranyl-1~{H}-indol-2-yl)carbonyl-methyl-amino]methyl]-5-fluoranyl-phenyl]benzoic acid, FLAVIN MONONUCLEOTIDE, ... (4 entities in total)
Functional Keywords	inhibitor, complex, oxidoreductase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	41661.57
Authors	Ferguson, A.D. (deposition date: 2020-03-10, release date: 2021-05-12, Last modification date: 2023-10-18)
Primary citation	Lee, E.C.Y.,McRiner, A.J.,Georgiadis, K.E.,Liu, J.,Wang, Z.,Ferguson, A.D.,Levin, B.,von Rechenberg, M.,Hupp, C.D.,Monteiro, M.I.,Keefe, A.D.,Olszewski, A.,Eyermann, C.J.,Centrella, P.,Liu, Y.,Arora, S.,Cuozzo, J.W.,Zhang, Y.,Clark, M.A.,Huguet, C.,Kohlmann, A. Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening. J.Med.Chem., 64:6730-6744, 2021 Cited by PubMed: 33955740 DOI: 10.1021/acs.jmedchem.0c02271 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.7 Å)

Structure validation