6TMP

Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures

これはPDB形式変換不可エントリーです。

6TMP の概要

• エントリーDOI: 10.2210/pdb6tmp/pdb
• 分子名称: [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial, MAGNESIUM ION, [2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone, ... (5 entities in total)
• 機能のキーワード: off-rate screening, pdhk, hsp90, spr, kinase inhibitors, fragment screening, cancer, pdk1, pdk2, pdk3, pdk4, 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: 45439.34

構造登録者

Baker, L.M.,Aimon, A.,Murray, J.B.,Surgenor, A.E.,Matassova, N.,Roughley, S.D.,von Delft, F.,Hubbard, R.E. (登録日: 2019-12-05, 公開日: 2020-10-14, 最終更新日: 2024-05-15)

• 主引用文献: Baker, L.M.,Aimon, A.,Murray, J.B.,Surgenor, A.E.,Matassova, N.,Roughley, S.D.,Collins, P.M.,Krojer, T.,von Delft, F.,Hubbard, R.E.; Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures; Commun Chem, 2020; DOI: 10.1038/s42004-020-00367-0

実験手法

X-RAY DIFFRACTION (2.076 Å)