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

Summary for 4XX4

• Entry DOI: 10.2210/pdb4xx4/pdb
• Related: 4XX3
• Descriptor: 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)
• Functional Keywords: animals, antihypertensive agents, blood pressure, drug design, enzyme inhibitors, models, molecular, protein conformation, renin, structure-activity relationship, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Secreted: P00797
• Total number of polymer chains: 2
• Total formula weight: 75592.29

Authors

Orth, P. (deposition date: 2015-01-29, release date: 2015-02-18, Last modification date: 2023-09-27)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (2.4 Å)