5MRD

Human PDK1-PKCiota Kinase Chimera in Complex with Allosteric Compound PS267 Bound to the PIF-Pocket

5MRD の概要

• エントリーDOI: 10.2210/pdb5mrd/pdb
• 分子名称: 3-phosphoinositide-dependent protein kinase 1, ethyl (2~{S})-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2~{H}-pyrrole-3-carboxylate, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... (6 entities in total)
• 機能のキーワード: protein kinase, allosteric regulation, small compounds, pif-pocket, transferase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 36519.97

構造登録者

Arencibia, J.M.,Froehner, W.,Krupa, M.,Pastor-Flores, D.,Merker, P.,Oellerich, T.,Neimanis, S.,Schmithals, C.,Koeberle, V.,Suess, E.,Zeuzem, S.,Stark, H.,Piiper, A.,Odadzic, D.,Schulze, J.O.,Biondi, R.M. (登録日: 2016-12-22, 公開日: 2017-01-18, 最終更新日: 2024-01-17)

• 主引用文献: Arencibia, J.M.,Frohner, W.,Krupa, M.,Pastor-Flores, D.,Merker, P.,Oellerich, T.,Neimanis, S.,Schmithals, C.,Koberle, V.,Su, E.,Zeuzem, S.,Stark, H.,Piiper, A.,Odadzic, D.,Schulze, J.O.,Biondi, R.M.; An Allosteric Inhibitor Scaffold Targeting the PIF-Pocket of Atypical Protein Kinase C Isoforms.; ACS Chem. Biol., 12:564-573, 2017; PubMed: 28045490; DOI: 10.1021/acschembio.6b00827

実験手法

X-RAY DIFFRACTION (1.41 Å)