6R0H

Glycogen Phosphorylase b in complex with 3

6R0H の概要

• エントリーDOI: 10.2210/pdb6r0h/pdb
• 分子名称: Glycogen phosphorylase, muscle form, 3-(4-fluorophenyl)-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide, PYRIDOXAL-5'-PHOSPHATE, ... (4 entities in total)
• 機能のキーワード: transferase
• 由来する生物種: Oryctolagus cuniculus (Rabbit)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 98046.90

構造登録者

Tsagkarakou, S.A.,Koulas, M.S.,Kyriakis, E.,Stravodimos, G.A.,Skamnaki, V.T.,Leonidas, D.D. (登録日: 2019-03-13, 公開日: 2019-04-10, 最終更新日: 2025-04-09)

主引用文献

Fischer, T.,Koulas, S.M.,Tsagkarakou, A.S.,Kyriakis, E.,Stravodimos, G.A.,Skamnaki, V.T.,Liggri, P.G.V.,Zographos, S.E.,Riedl, R.,Leonidas, D.D.
High Consistency of Structure-Based Design and X-Ray Crystallography: Design, Synthesis, Kinetic Evaluation and Crystallographic Binding Mode Determination of Biphenyl-N-acyl-beta-d-Glucopyranosylamines as Glycogen Phosphorylase Inhibitors.
Molecules, 24:-, 2019

PubMed Abstract: Structure-based design and synthesis of two biphenyl--acyl-β-d-glucopyranosylamine derivatives as well as their assessment as inhibitors of human liver glycogen phosphorylase (hlGPa, a pharmaceutical target for type 2 diabetes) is presented. X-ray crystallography revealed the importance of structural water molecules and that the inhibitory efficacy correlates with the degree of disturbance caused by the inhibitor binding to a loop crucial for the catalytic mechanism. The in silico-derived models of the binding mode generated during the design process corresponded very well with the crystallographic data.

PubMed: 30987252
DOI: 10.3390/molecules24071322

実験手法

X-RAY DIFFRACTION (2.5 Å)