6TMZ

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。

6TMZ の概要

• エントリーDOI: 10.2210/pdb6tmz/pdb
• 分子名称: [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, MAGNESIUM ION, ... (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)

• 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 (2.71 Å)