8S0O

A fragment-based inhibitor of SHP2

これはPDB形式変換不可エントリーです。

8S0O の概要

• エントリーDOI: 10.2210/pdb8s0o/pdb
• 分子名称: Tyrosine-protein phosphatase non-receptor type 11, FORMIC ACID, 3-[4-chloranyl-2-(1H-pyrazol-4-ylmethyl)indazol-5-yl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine, ... (4 entities in total)
• 機能のキーワード: protein tyrosine phophatase, sh2 domain, autoinhibition, allostery, signaling protein
• 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: 124813.55

構造登録者

Cleasby, A.,Price, A. (登録日: 2024-02-14, 公開日: 2024-03-20, 最終更新日: 2024-04-10)

• 主引用文献: Day, J.E.H.,Berdini, V.,Castro, J.,Chessari, G.,Davies, T.G.,Day, P.J.,St Denis, J.D.,Fujiwara, H.,Fukaya, S.,Hamlett, C.C.F.,Hearn, K.,Hiscock, S.D.,Holvey, R.S.,Ito, S.,Kandola, N.,Kodama, Y.,Liebeschuetz, J.W.,Martins, V.,Matsuo, K.,Mortenson, P.N.,Muench, S.,Nakatsuru, Y.,Ochiiwa, H.,Palmer, N.,Peakman, T.,Price, A.,Reader, M.,Rees, D.C.,Rich, S.J.,Shah, A.,Shibata, Y.,Smyth, T.,Twigg, D.G.,Wallis, N.G.,Williams, G.,Wilsher, N.E.,Woodhead, A.,Shimamura, T.,Johnson, C.N.; Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).; J.Med.Chem., 67:4655-4675, 2024; PubMed: 38462716; DOI: 10.1021/acs.jmedchem.3c02118

実験手法

X-RAY DIFFRACTION (1.834 Å)