PDBsum entry 3e0p

Hydrolase

PDB id: 3e0p

Contents

Protein chain

246 a.a.

Ligands

B3C

GOL

Waters ×206

References listed in PDB file

Key reference

• Title: Discovery of inhibitors of the channel-Activating protease prostasin (cap1/prss8) utilizing structure-Based design.
• Authors: D.C.Tully, A.Vidal, A.K.Chatterjee, J.A.Williams, M.J.Roberts, H.M.Petrassi, G.Spraggon, B.Bursulaya, R.Pacoma, A.Shipway, A.M.Schumacher, H.Danahay, J.L.Harris.
• Ref.: Bioorg Med Chem Lett, 2008, 18, 5895-5899.
• PubMed id: 18752942

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.