4XX4

Renin in complex with (4S)-4-isopropyl-4-methyl-6-oxo-1-(3-(2-oxo-4-phenylpyrrolidin-1-yl)benzyl)tetrahydropyrimidin-2(1H)-iminium

4XX4 の概要

• エントリーDOI: 10.2210/pdb4xx4/pdb
• 関連するPDBエントリー: 4XX3
• 分子名称: Renin, 2-acetamido-2-deoxy-beta-D-glucopyranose, (2Z,6S)-2-imino-6-methyl-3-{3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]benzyl}-6-(propan-2-yl)tetrahydropyrimidin-4(1H)-one, ... (4 entities in total)
• 機能のキーワード: animals, antihypertensive agents, blood pressure, drug design, enzyme inhibitors, models, molecular, protein conformation, renin, structure-activity relationship, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Secreted: P00797
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 75592.29

構造登録者

Orth, P. (登録日: 2015-01-29, 公開日: 2015-02-18, 最終更新日: 2023-09-27)

• 主引用文献: McKittrick, B.A.,Caldwell, J.P.,Bara, T.,Boykow, G.,Chintala, M.,Clader, J.,Czarniecki, M.,Courneya, B.,Duffy, R.,Fleming, L.,Giessert, R.,Greenlee, W.J.,Heap, C.,Hong, L.,Huang, Y.,Iserloh, U.,Josien, H.,Khan, T.,Korfmacher, W.,Liang, X.,Mazzola, R.,Mitra, S.,Moore, K.,Orth, P.,Rajagopalan, M.,Roy, S.,Sakwa, S.,Strickland, C.,Vaccaro, H.,Voigt, J.,Wang, H.,Wong, J.,Zhang, R.,Zych, A.; Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors.; Bioorg. Med. Chem. Lett., 25:1592-1596, 2015; PubMed: 25728416; DOI: 10.1016/j.bmcl.2015.02.003

実験手法

X-RAY DIFFRACTION (2.4 Å)