Literature summary for 3.4.23.20 extracted from

Khan, A.R.; Parrish, J.C.; Fraser, M.E.; Smith, W.W.; Bartlett, P.A.; James, M.N.G.
Lowering the entropic barrier for binding conformationally flexible inhibitors to enzymes (1998), Biochemistry, 37, 16839-16845.

Search for more literature for 3.4.23.20

Application

Application	Comment	Organism
medicine	design of inhibitors with enhanced potency against proteolytic enzymes has many applications for treatment of human diseases	Penicillium janthinellum

Crystallization (Commentary)

Crystallization (Comment)	Organism
crystal structure in complex with inhibitor PPi3, monoclinic space group C2, a : 96.24 A, b : 46.47 A, c : 65.38 A, crystal structure in complex with inhibitor PPi4, monoclinic space group C2, a : 96.98 A, b : 46.65 A, c : 65.71 A	Penicillium janthinellum

Inhibitors

Inhibitors	Comment	Organism	Structure
methyl cyclo[(2S)-2-[[(1R)-1-(N-(l-N-(3-methylbutanoyl)valyl-L-aspartyl)amino)-3-methylbutyl]hydroxyphosphinyloxy]-3-(3-aminomethyl)] phenylpropanoate	phosphonate-based macrocycle PPi4, macrocyclic pentapeptide inhibitor	Penicillium janthinellum
methyl cyclo[(2S)-2-[[(1R)-1-(N-(l-N-(3-methylbutanoyl)valyl-L-aspartyl)amino)-3-methylbutyl]ydroxyphosphinyloxy]-3-(3-aminomethyl)] phenylpropanoate	-	Penicillium janthinellum

Organism

Organism	UniProt	Comment	Textmining
Penicillium janthinellum	P00798	-	-

Synonyms

Synonyms	Comment	Organism
Penicillium janthinellum aspartic proteinase	-	Penicillium janthinellum

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
0.0000001	-	methyl cyclo[(2S)-2-[[(1R)-1-(N-(l-N-(3-methylbutanoyl)valyl-L-aspartyl)amino)-3-methylbutyl]ydroxyphosphinyloxy]-3-(3-aminomethyl)] phenylpropanoate	pH 4.6, macrocyclic pentapeptide inhibitor	Penicillium janthinellum

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Release 2023.1 (January 2023)