8G68

Wildtype PTP1b in complex with DES5742

8G68 の概要

• エントリーDOI: 10.2210/pdb8g68/pdb
• 分子名称: Tyrosine-protein phosphatase non-receptor type 1, 4-(3-ethyl-5-methyl-1H-pyrazol-1-yl)aniline (3 entities in total)
• 機能のキーワード: complex, hydrolase
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 69843.67

構造登録者

Greisman, J.B.,Willmore, L.,Yeh, C.Y.,Giordanetto, F.,Shahamadtar, S.,Nisonoff, H.,Maragakis, P.,Shaw, D.E. (登録日: 2023-02-14, 公開日: 2023-04-26, 最終更新日: 2024-05-22)

• 主引用文献: Greisman, J.B.,Willmore, L.,Yeh, C.Y.,Giordanetto, F.,Shahamadtar, S.,Nisonoff, H.,Maragakis, P.,Shaw, D.E.; Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.; J.Chem.Inf.Model., 63:2644-2650, 2023; PubMed: 37086179; DOI: 10.1021/acs.jcim.3c00236

実験手法

X-RAY DIFFRACTION (1.82 Å)