5WDJ

CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-6 AKA 7-(BENZYLOXY)-1H-[1,2, 3]TRIAZOLO[4,5-D]PYRIMIDIN-5-AMINE

Summary for 5WDJ

• Entry DOI: 10.2210/pdb5wdj/pdb
• Descriptor: Myeloperoxidase, alpha-L-fucopyranose, alpha-D-mannopyranose, ... (12 entities in total)
• Functional Keywords: myeloperoxidase, metal binding protein
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 4
• Total formula weight: 135605.64

Authors

Khan, J.A. (deposition date: 2017-07-05, release date: 2018-04-18, Last modification date: 2024-10-23)

Primary citation

Duclos, F.,Abell, L.M.,Harden, D.G.,Pike, K.,Nowak, K.,Locke, G.A.,Duke, G.J.,Liu, X.,Fernando, G.,Shaw, S.A.,Vokits, B.P.,Wurtz, N.R.,Viet, A.,Valente, M.N.,Stachura, S.,Sleph, P.,Khan, J.A.,Gao, J.,Dongre, A.R.,Zhao, L.,Wexler, R.R.,Gordon, D.A.,Kick, E.K.
Triazolopyrimidines identified as reversible myeloperoxidase inhibitors.
Medchemcomm, 8:2093-2099, 2017

PubMed Abstract: Myeloperoxidase, a mammalian peroxidase involved in the immune system as an anti-microbial first responder, can produce hypochlorous acid in response to invading pathogens. Myeloperoxidase has been implicated in several chronic pathological diseases due to the chronic production of hypochlorous acid, as well as other reactive radical species. A high throughput screen and triaging protocol was developed to identify a reversible inhibitor of myeloperoxidase toward the potential treatment of chronic diseases such as atherosclerosis. The identification and characterization of a reversible myeloperoxidase inhibitor, 7-(benzyloxy)-3-[1,2,3]triazolo[4,5-]pyrimidin-5-amine is described.

PubMed: 30108726
DOI: 10.1039/c7md00268h

Experimental method

X-RAY DIFFRACTION (2.4 Å)