4JYT: Crystal Structure Of Matriptase In Complex With Inhibitor

Citation:
Abstract
Matriptase belongs to trypsin-like serine proteases involved in matrix remodeling/degradation, growth regulation, survival, motility, and cell morphogenesis. Herein, we report a structure-based approach, which led to the discovery of sulfonamide and amide derivatives of pyridyl bis(oxy)benzamidine as potent and selective matriptase inhibitors. Co-crystal structures of selected compounds in complex with matriptase supported compound designing. Additionally, WaterMap analyses indicated the possibility of occupying a distinct pocket within the catalytic domain, exploration of which resulted in >100-fold improvement in potency. Co-crystal structure of 10 with matriptase revealed critical interactions leading to potent target inhibition and selectivity against other serine proteases.
PDB ID: 4JYTDownload
MMDB ID: 118415
PDB Deposition Date: 2013/4/1
Updated in MMDB: 2014/03
Experimental Method:
x-ray diffraction
Resolution: 2  Å
Source Organism:
Similar Structures:
Biological Unit for 4JYT: monomeric; determined by author and by software (PISA)
Molecular Components in 4JYT
Label Count Molecule
Protein (1 molecule)
1
Suppressor of Tumorigenicity 14 Protein(Gene symbol: ST14)
Molecule annotation
Chemical (1 molecule)
1
1
* Click molecule labels to explore molecular sequence information.

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