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4GJA

Crystal structure of renin in complex with NVP-AYL747 (compound 5)

Summary for 4GJA
Entry DOI10.2210/pdb4gja/pdb
Related4GJ8 4GJ9 4GJB 4GJC 4GJD
DescriptorRenin, 2-acetamido-2-deoxy-beta-D-glucopyranose, (3S,5R)-N-(2,2-diphenylethyl)-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide, ... (5 entities in total)
Functional Keywordsrenin inhibitor, fragment based screening, 3, 5-disubstituted piperidines, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationSecreted: P00797
Total number of polymer chains2
Total formula weight76219.86
Authors
Ostermann, N.,Zink, F.,Kroemer, M. (deposition date: 2012-08-09, release date: 2013-02-13, Last modification date: 2023-09-13)
Primary citationOstermann, 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: 23360239
DOI: 10.1021/jm301706j
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.6 Å)
Structure validation

217705

数据于2024-03-27公开中

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