Literature summary for 3.4.23.22 extracted from

Coates, L.; Erskine, P.T.; Crump, M.P.; Wood, S.P.; Cooper, J.B.
Five atomic resolution structures of endothiapepsin inhibitor complexes: implications for the aspartic proteinase mechanism (2002), J. Mol. Biol., 318, 1405-1415.

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Application

Application	Comment	Organism
medicine	aspartic proteinases play major roles in amyloid disease and malaria, implicated in tumourigenesis, design of inhibitors to this class of enzymes as potential therapeutic agents	Cryphonectria parasitica

Crystallization (Commentary)

Crystallization (Comment)	Organism
space group P2(1), in complex with H189 unit cell parameters a : 42.48, b : 75.78, c : 42.99, in complex with CP-80,794 unit cell parameters a : 42.55, b : 74.62, c : 44.43, in complex with CP-129,541 unit cell parameters a : 42.47, b : 74.31, c : 42.81, in complex with PD-130,328 unit cell parameters a : 43.88, b : 75.44, c : 43.23, in complex with H256 unit cell parameters a : 43.88, b : 75.44, c : 43.23	Cryphonectria parasitica

Crystallization (Comment)

Organism

space group P2(1), in complex with H189 unit cell parameters a : 42.48, b : 75.78, c : 42.99, in complex with CP-80,794 unit cell parameters a : 42.55, b : 74.62, c : 44.43, in complex with CP-129,541 unit cell parameters a : 42.47, b : 74.31, c : 42.81, in complex with PD-130,328 unit cell parameters a : 43.88, b : 75.44, c : 43.23, in complex with H256 unit cell parameters a : 43.88, b : 75.44, c : 43.23

Cryphonectria parasitica

Inhibitors

Inhibitors	Comment	Organism
CP-80,794	transition state analogue inhibitor	Cryphonectria parasitica
H189	transition state analogue inhibitor	Cryphonectria parasitica
H256	transition state analogue inhibitor	Cryphonectria parasitica
PD-129,541	transition state analogue inhibitor	Cryphonectria parasitica
PD-130,328	transition state analogue inhibitor	Cryphonectria parasitica
pepstatin	-	Cryphonectria parasitica

Organism

Organism	UniProt	Comment	Textmining
Cryphonectria parasitica	-	-	-

pH Optimum

pH Optimum Minimum	pH Optimum Maximum	Comment	Organism
5.5	-	-	Cryphonectria parasitica

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism
0.000001	-	H189	pH 4.5	Cryphonectria parasitica
0.00006	-	H256	pH 4.5	Cryphonectria parasitica
0.00011	-	PD-130,328	pH 4.5	Cryphonectria parasitica