8BSN

Human GLS in complex with compound 27

8BSN の概要

• エントリーDOI: 10.2210/pdb8bsn/pdb
• 分子名称: Glutaminase kidney isoform, mitochondrial 65 kDa chain, SULFATE ION, (2~{S})-2-methoxy-2-phenyl-~{N}-[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, ... (4 entities in total)
• 機能のキーワード: hydrolase, glutaminase, thiadiazole, pyridazine, inhibitor
• 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: 35580.41

構造登録者

Debreczeni, J.E. (登録日: 2022-11-25, 公開日: 2023-01-18, 最終更新日: 2024-06-19)

• 主引用文献: Finlay, M.R.V.,Anderton, M.,Bailey, A.,Boyd, S.,Brookfield, J.,Cairnduff, C.,Charles, M.,Cheasty, A.,Critchlow, S.E.,Culshaw, J.,Ekwuru, T.,Hollingsworth, I.,Jones, N.,Leroux, F.,Littleson, M.,McCarron, H.,McKelvie, J.,Mooney, L.,Nissink, J.W.M.,Perkins, D.,Powell, S.,Quesada, M.J.,Raubo, P.,Sabin, V.,Smith, J.,Smith, P.D.,Stark, A.,Ting, A.,Wang, P.,Wilson, Z.,Winter-Holt, J.J.,Wood, J.M.,Wrigley, G.L.,Yu, G.,Zhang, P.; Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.; J Med Chem, 62:6540-6560, 2019; PubMed: 31199640; DOI: 10.1021/acs.jmedchem.9b00260

実験手法

X-RAY DIFFRACTION (2.494 Å)