6MDC

Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 1 SHP389

6MDC の概要

• エントリーDOI: 10.2210/pdb6mdc/pdb
• 分子名称: Tyrosine-protein phosphatase non-receptor type 11, 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, ... (4 entities in total)
• 機能のキーワード: shp2, ptpn11, protein tyrosine phosphatase, phosphatase, allosteric inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase, hydrolase/hydrolase inhibitor
• 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: 122114.89

構造登録者

Fodor, M.,Stams, T. (登録日: 2018-09-04, 公開日: 2019-02-13, 最終更新日: 2024-04-03)

• 主引用文献: Bagdanoff, J.T.,Chen, Z.,Acker, M.,Chen, Y.N.,Chan, H.,Dore, M.,Firestone, B.,Fodor, M.,Fortanet, J.,Hentemann, M.,Kato, M.,Koenig, R.,LaBonte, L.R.,Liu, S.,Mohseni, M.,Ntaganda, R.,Sarver, P.,Smith, T.,Sendzik, M.,Stams, T.,Spence, S.,Towler, C.,Wang, H.,Wang, P.,Williams, S.L.,LaMarche, M.J.; Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.; J. Med. Chem., 62:1781-1792, 2019; PubMed: 30688462; DOI: 10.1021/acs.jmedchem.8b01725

実験手法

X-RAY DIFFRACTION (2.14 Å)