6TTH

PKM2 in complex with L-threonine

6TTH の概要

• エントリーDOI: 10.2210/pdb6tth/pdb
• EMDBエントリー: 10575 10576
• 分子名称: Pyruvate kinase PKM, 1,6-di-O-phosphono-beta-D-fructofuranose, THREONINE, ... (4 entities in total)
• 機能のキーワード: pkm2, fbdd, l-threonine, cytosolic protein
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 241164.22

構造登録者

Saur, M.,Hartshorn, M.J.,Dong, J.,Reeks, J.,Bunkoczi, G.,Jhoti, H.,Williams, P.A. (登録日: 2019-12-27, 公開日: 2020-01-15, 最終更新日: 2024-05-22)

主引用文献

Saur, M.,Hartshorn, M.J.,Dong, J.,Reeks, J.,Bunkoczi, G.,Jhoti, H.,Williams, P.A.
Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25:485-490, 2020

PubMed Abstract: Recent advances in electron cryo-microscopy (cryo-EM) structure determination have pushed the resolutions obtainable by the method into the range widely considered to be of utility for drug discovery. Here, we review the use of cryo-EM in fragment-based drug discovery (FBDD) based on in-house method development. We demonstrate not only that cryo-EM can reveal details of the molecular interactions between fragments and a protein, but also that the current reproducibility, quality, and throughput are compatible with FBDD. We exemplify this using the test system β-galactosidase (Bgal) and the oncology target pyruvate kinase 2 (PKM2).

PubMed: 31877353
DOI: 10.1016/j.drudis.2019.12.006

実験手法

ELECTRON MICROSCOPY (2.6 Å)