6T9U

Bovine Trypsine in complex with the synthetic inhibitor (S)-3'-(N-(1-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-3-(3-carbamimidoylphenyl)-1-oxopropan-2-yl)sulfamoyl)-[1,1'-biphenyl]-3-carboximidamide (MI-490)

Summary for 6T9U

• Entry DOI: 10.2210/pdb6t9u/pdb
• Descriptor: Cationic Trypsin, DIMETHYL SULFOXIDE, 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea, ... (6 entities in total)
• Functional Keywords: trypsin, hydrolase
• Biological source: Bos taurus
• Total number of polymer chains: 1
• Total formula weight: 26763.37

Authors

Mueller, J.M.,Merkl, S.,Keils, A.,Pilgram, O.,Steinmetzer, T. (deposition date: 2019-10-28, release date: 2020-11-18, Last modification date: 2024-01-24)

• Primary citation: Pilgram, O.,Keils, A.,Benary, G.E.,Muller, J.,Merkl, S.,Ngaha, S.,Huber, S.,Chevillard, F.,Harbig, A.,Magdolen, V.,Heine, A.,Bottcher-Friebertshauser, E.,Steinmetzer, T.; Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors; Eur.J.Med.Chem., :114437-, 2022; DOI: 10.1016/j.ejmech.2022.114437

Experimental method

X-RAY DIFFRACTION (1.0675090501 Å)