4GJC
Crystal structure of renin in complex with NVP-BCH965 (compound 9)
Summary for 4GJC
Entry DOI | 10.2210/pdb4gjc/pdb |
Related | 4GJ8 4GJ9 4GJA 4GJB 4GJD |
Descriptor | Renin, 2-acetamido-2-deoxy-beta-D-glucopyranose, (3S,5R)-5-{[(4-methylphenyl)sulfonyl]amino}-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide, ... (5 entities in total) |
Functional Keywords | renin inhibitor, fragment based screening, 3, 5-disubstituted piperidines, 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 | 76247.82 |
Authors | Ostermann, N.,Zink, F.,Kroemer, M. (deposition date: 2012-08-09, release date: 2013-02-13, Last modification date: 2023-09-13) |
Primary citation | Ostermann, N.,Ruedisser, S.,Ehrhardt, C.,Breitenstein, W.,Marzinzik, A.,Jacoby, E.,Vangrevelinghe, E.,Ottl, J.,Klumpp, M.,Hartwieg, J.C.,Cumin, F.,Hassiepen, U.,Trappe, J.,Sedrani, R.,Geisse, S.,Gerhartz, B.,Richert, P.,Francotte, E.,Wagner, T.,Kromer, M.,Kosaka, T.,Webb, R.L.,Rigel, D.F.,Maibaum, J.,Baeschlin, D.K. A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore. J.Med.Chem., 56:2196-2206, 2013 Cited by PubMed: 23360239DOI: 10.1021/jm301706j PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.4 Å) |
Structure validation
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