Literature summary for 3.4.21.109 extracted from

Steinmetzer, T.; Schweinitz, A.; Stuerzebecher, A.; Doennecke, D.; Uhland, K.; Schuster, O.; Steinmetzer, P.; Mueller, F.; Friedrich, R.; Than, M.E.; Bode, W.; Stuerzebecher, J.
Secondary amides of sulfonylated 3-amidinophenylalanine. New potent and selective inhibitors of matriptase (2006), J. Med. Chem., 49, 4116-4126.

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Cloned(Commentary)

Cloned (Comment)	Organism
expression of the His-tagged matriptase catalytic domain in Escherichia coli strain BL21(DE3) in inclusion bodies	Homo sapiens

Crystallization (Commentary)

Crystallization (Comment)	Organism
purified recombinant refolded His-tagged matriptase catalytic domain in complex with benzamidine, 2-Nas-Phe(3-Am)-4-(2-guanidinoethyl)piperidide, and 4-([1-[(2S)-3-(3-carbamimidoylphenyl)-2-([[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]amino)propanoyl]piperidin-4-yl]carbonyl)piperidine-1-carboximidamide, hanging drop vapor diffusion method, 18°C, 5 mg/mL matriptase, from 10 mM benzamidine, 0.1 M Tris-HCl, pH 8.5, 20% PEG 8000, and 200 mM MgCl2, X-ray diffraction structure determination and analysis at 2.1-2.2 A resolution	Homo sapiens

Crystallization (Comment)

Organism

purified recombinant refolded His-tagged matriptase catalytic domain in complex with benzamidine, 2-Nas-Phe(3-Am)-4-(2-guanidinoethyl)piperidide, and 4-([1-[(2S)-3-(3-carbamimidoylphenyl)-2-([[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]amino)propanoyl]piperidin-4-yl]carbonyl)piperidine-1-carboximidamide, hanging drop vapor diffusion method, 18°C, 5 mg/mL matriptase, from 10 mM benzamidine, 0.1 M Tris-HCl, pH 8.5, 20% PEG 8000, and 200 mM MgCl2, X-ray diffraction structure determination and analysis at 2.1-2.2 A resolution

Homo sapiens

Inhibitors

Inhibitors	Comment	Organism
2-Nas-Phe(3-Am)-4-(2-guanidinoethyl)piperidide	-	Homo sapiens
3-TAPAP	-	Homo sapiens
3-[(2S)-3-[4-(N-carbamimidoyl-b-alanyl)piperazin-1-yl]-3-oxo-2-([[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]amino)propyl]benzenecarboximidamide	-	Homo sapiens
4-([1-[(2S)-3-(3-carbamimidoylphenyl)-2-([[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]amino)propanoyl]piperidin-4-yl]carbonyl)piperidine-1-carboximidamide	-	Homo sapiens
CVS-3983	a selective arginal-derived matriptase inhibitor	Homo sapiens
N-(2-aminoethyl)-1-(3-carbamimidoyl-N-[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]-L-phenylalanyl)piperidine-4-carboxamide	-	Homo sapiens
N-(3-[[(1S)-2-[4-(2-aminoethyl)piperidin-1-yl]-1-(3-carbamimidoylbenzyl)-2-oxoethyl]sulfamoyl]phenyl)-b-alaninamide	-	Homo sapiens
sulfated 3-amidinophenylalanine derivatives	deiverse variants, overview	Homo sapiens

Localization

Localization	Comment	Organism	GeneOntology No.	Textmining
membrane	matriptase is a type II transmembrane trypsin-like serine protease	Homo sapiens	16020	-

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
hepatocyte growth factor/scatter factor + H2O	Homo sapiens	the enzyme is involved in tumor progression and metastasis	activated hepatocyte growth factor/scatter factor + ?	-	?
pro-urokinase plasminogen activator + H2O	Homo sapiens	the enzyme is involved in tumor progression and metastasis	urokinase plasminogen activator + propeptide of urokinase plasminogen activator	-	?

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	Q9Y5Y6	-	-

Purification (Commentary)

Purification (Comment)	Organism
recombinant refolded His-tagged matriptase catalytic domain nickel affinity chromatography	Homo sapiens

Renatured (Commentary)

Renatured (Comment)	Organism
recombinant His-tagged matriptase catalytic domain from Escherichia coli strain BL21(DE3) inclusion bodies by denaturation with 6 M guanidinium hydrochloride, and refolding by dilution in 50 mM Tris-HCl, 0.5 M L-arginine, 20 mM CaCl2, 1 mM EDTA, 0,1 M NaCl, and 1 mM cysteine, pH 7.5	Homo sapiens

Source Tissue

Source Tissue	Comment	Organism	Textmining
epithelium	-	Homo sapiens	-
PC-3 cell	-	Homo sapiens	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.
hepatocyte growth factor/scatter factor + H2O	-	Homo sapiens	activated hepatocyte growth factor/scatter factor + ?	-	?
hepatocyte growth factor/scatter factor + H2O	the enzyme is involved in tumor progression and metastasis	Homo sapiens	activated hepatocyte growth factor/scatter factor + ?	-	?
pro-urokinase plasminogen activator + H2O	-	Homo sapiens	urokinase plasminogen activator + propeptide of urokinase plasminogen activator	-	?
pro-urokinase plasminogen activator + H2O	the enzyme is involved in tumor progression and metastasis	Homo sapiens	urokinase plasminogen activator + propeptide of urokinase plasminogen activator	-	?

pH Optimum

pH Optimum Minimum	pH Optimum Maximum	Comment	Organism
8	-	assay at	Homo sapiens

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism
additional information	-	additional information	-	Homo sapiens
0.0000033	-	CVS-3983	-	Homo sapiens
0.0000066	-	N-(3-[[(1S)-2-[4-(2-aminoethyl)piperidin-1-yl]-1-(3-carbamimidoylbenzyl)-2-oxoethyl]sulfamoyl]phenyl)-b-alaninamide	pH 8.0, recombinant catalytic enzyme domain	Homo sapiens
0.000014	-	4-([1-[(2S)-3-(3-carbamimidoylphenyl)-2-([[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]amino)propanoyl]piperidin-4-yl]carbonyl)piperidine-1-carboximidamide	pH 8.0, recombinant catalytic enzyme domain	Homo sapiens
0.000026	-	N-(2-aminoethyl)-1-(3-carbamimidoyl-N-[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]-L-phenylalanyl)piperidine-4-carboxamide	pH 8.0, recombinant catalytic enzyme domain	Homo sapiens
0.00005	-	2-Nas-Phe(3-Am)-4-(2-guanidinoethyl)piperidide	pH 8.0, recombinant catalytic enzyme domain	Homo sapiens
0.000082	-	3-[(2S)-3-[4-(N-carbamimidoyl-b-alanyl)piperazin-1-yl]-3-oxo-2-([[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]amino)propyl]benzenecarboximidamide	pH 8.0, recombinant catalytic enzyme domain	Homo sapiens

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
additional information	-	-	Homo sapiens	additional information