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

5WDJ の概要

• エントリーDOI: 10.2210/pdb5wdj/pdb
• 分子名称: Myeloperoxidase, alpha-L-fucopyranose, alpha-D-mannopyranose, ... (12 entities in total)
• 機能のキーワード: myeloperoxidase, metal binding protein
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 135605.64

構造登録者

Khan, J.A. (登録日: 2017-07-05, 公開日: 2018-04-18, 最終更新日: 2024-10-23)

主引用文献

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

実験手法

X-RAY DIFFRACTION (2.4 Å)