2YB9
Crystal Structure of Human Neutral Endopeptidase complexed with a heteroarylalanine diacid.
Summary for 2YB9
| Entry DOI | 10.2210/pdb2yb9/pdb |
| Related | 1DL9 1DMT 1QVD 1R1H 1R1I 1R1J 1Y8J |
| Descriptor | NEPRILYSIN, ZINC ION, HETEROARYLALANINE 5-PHENYL OXAZOLE, ... (4 entities in total) |
| Functional Keywords | hydrolase, neprilysine, metalloproteinase |
| Biological source | HOMO SAPIENS (HUMAN) |
| Cellular location | Cell membrane; Single-pass type II membrane protein: P08473 |
| Total number of polymer chains | 1 |
| Total formula weight | 80033.42 |
| Authors | Glossop, M.S.,Bazin, R.J.,Dack, K.N.,Done, S.,Fox, D.N.A.,MacDonald, G.A.,Mills, M.,Owen, D.R.,Phillips, C.,Reeves, K.A.,Ringer, T.J.,Strang, R.S.,Watson, C.A.L. (deposition date: 2011-03-02, release date: 2011-05-25, Last modification date: 2024-11-13) |
| Primary citation | Glossop, M.S.,Bazin, R.J.,Dack, K.N.,Fox, D.N.A.,Macdonald, G.A.,Mills, M.,Owen, D.R.,Phillips, C.,Reeves, K.A.,Ringer, T.J.,Strang, R.S.,Watson, C.A.L. Synthesis and Evaluation of Heteroarylalanine Diacids as Potent and Selective Neutral Endopeptidase Inhibitors. Bioorg.Med.Chem.Lett., 21:3404-, 2011 Cited by PubMed Abstract: Heteroarylalanine derivatives 4 were designed as potential inhibitors of neutral endopeptidase (NEP EC 3.4.24.11). Selectivity over other zinc metalloproteinases was explored through occupation of the S2' subsite within NEP. Structural optimisation led to the identification of 5-phenyl oxazole 4f, a potent and selective NEP inhibitor. A crystal structure of the inhibitor bound complex is reported. PubMed: 21515054DOI: 10.1016/J.BMCL.2011.03.109 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.4 Å) |
Structure validation
Download full validation report
