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3E16

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

Summary for 3E16
Entry DOI10.2210/pdb3e16/pdb
Related3E1X 3EON 3EOP
DescriptorProstasin, GLYCEROL, benzyl [(1S)-5-amino-1-{[(1S)-1-({(1S)-5-amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-3-phenylpropyl]carbamoyl}pentyl]carbamate, ... (5 entities in total)
Functional Keywordsprostasin, hcap-1, channel activating protease, inhibitor, enac, benzoxazole, cell membrane, glycoprotein, hydrolase, membrane, protease, secreted, serine protease, transmembrane, zymogen
Biological sourceHomo sapiens (human)
Cellular locationProstasin: Cell membrane; Single-pass membrane protein. Prostasin light chain: Secreted, extracellular space. Prostasin heavy chain: Secreted, extracellular space: Q16651
Total number of polymer chains1
Total formula weight30451.04
Authors
Spraggon, G.,Hornsby, M.,Shipway, A.,Harris, J.L.,Lesley, S.A. (deposition date: 2008-08-01, release date: 2008-09-09, Last modification date: 2024-11-13)
Primary citationTully, D.C.,Vidal, A.,Chatterjee, A.K.,Williams, J.A.,Roberts, M.J.,Petrassi, H.M.,Spraggon, G.,Bursulaya, B.,Pacoma, R.,Shipway, A.,Schumacher, A.M.,Danahay, H.,Harris, J.L.
Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design.
Bioorg.Med.Chem.Lett., 18:5895-5899, 2008
Cited by
PubMed Abstract: 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.
PubMed: 18752942
DOI: 10.1016/j.bmcl.2008.08.029
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.6 Å)
Structure validation

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