7NWC

CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND INHIBITOR COMPOUND 2

7NWC の概要

• エントリーDOI: 10.2210/pdb7nwc/pdb
• 関連するPDBエントリー: 7NTR 7NWA
• 分子名称: Branched-chain-amino-acid aminotransferase, cytosolic, 3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione, PYRIDOXAL-5'-PHOSPHATE, ... (4 entities in total)
• 機能のキーワード: branched-chain-amino-acid aminotransferase, pyridoxal-phosphate-dependent aminotransferase, transferase, small molecule inhibitor
• 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: 175552.53

構造登録者

Hillig, R.C. (登録日: 2021-03-16, 公開日: 2022-11-02, 最終更新日: 2024-01-31)

• 主引用文献: Gunther, J.,Hillig, R.C.,Zimmermann, K.,Kaulfuss, S.,Lemos, C.,Nguyen, D.,Rehwinkel, H.,Habgood, M.,Lechner, C.,Neuhaus, R.,Ganzer, U.,Drewes, M.,Chai, J.,Bouche, L.; BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.; J.Med.Chem., 65:14366-14390, 2022; PubMed: 36261130; DOI: 10.1021/acs.jmedchem.2c00441

実験手法

X-RAY DIFFRACTION (2.38 Å)