4XX3
Renin in complex with (S)-1-(3-(benzylcarbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
Summary for 4XX3
Entry DOI | 10.2210/pdb4xx3/pdb |
Related | 4XX4 |
Descriptor | Renin, 2-acetamido-2-deoxy-beta-D-glucopyranose, N-benzyl-3-{[(2Z,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)tetrahydropyrimidin-1(2H)-yl]methyl}benzamide, ... (4 entities in total) |
Functional Keywords | animals, antihypertensive agents, blood pressure, drug design, enzyme inhibitors, models, molecular, protein conformation, rats, 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 | 75761.42 |
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 Cited by PubMed: 25728416DOI: 10.1016/j.bmcl.2015.02.003 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.4 Å) |
Structure validation
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