3e16 | pdb_00003e16

X-ray structure of human prostasin in complex with Benzoxazole warhead peptidomimic, lysine in P3

spinqualitylabelsall models 3e16, resolution 1.60Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 3e16 is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: B4C, DMS, GOL Related: 3eon, 3eop, 3e1x Gene: PRSS8 (Homo sapiens) Resources: FirstGlance, OCA, RCSB, PDBsum Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMed Structure-based design was utilized to guide the early stage optimization of a substrate-like inhibitor to afford potent peptidomimetic inhibitors of the channel-activating protease prostasin. The first X-ray crystal structures of prostasin with small molecule inhibitors bound to the active site are also reported. Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design.,Tully DC, Vidal A, Chatterjee AK, Williams JA, Roberts MJ, Petrassi HM, Spraggon G, Bursulaya B, Pacoma R, Shipway A, Schumacher AM, Danahay H, Harris JL Bioorg Med Chem Lett. 2008 Nov 15;18(22):5895-9. Epub 2008 Aug 14. PMID:18752942 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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