Structure for boron-containing inhibitors of serine peptidases (unassigned)

Summary Structure Literature

PDB	Organism	Resolution	Comment
1OT5_A	Saccharomyces cerevisiae	2.40 Å	complex with N-acetyl-L-alanyl-6-ammonio-N-[(1R)-4-carbamimidamido-1-(dihydroxyboranyl)butyl]-L-norleucinamide
Catalytic residues are shown in ball-and-stick representation: Asp175 in pink, His213 in purple and Ser385 in orange. The structural calcium ions are shown as yellow CPK spheres. Carbohydrates are shown as CPK spheres in yellow.

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TERTIARY STRUCTURE DATA
Comment	Resolution	PDB	PDBe	SCOP	CATH	PDBSum	Proteopedia	Reference
subtilisin Carlsberg ( Bacillus licheniformis)
complex with L-naphthyl-1-acetamido boronic acid inhibitor	2.60 Å	1AV7	1AV7	1AV7	1AV7	1AV7	1AV7	Stoll et al., 1998
complex with D-para-chlorophenyl-1-acetamido boronic acid inhibitor	2.00 Å	1AVT	1AVT	1AVT	1AVT	1AVT	1AVT	Stoll et al., 1998
complex with L-para-chlorophenyl-1-acetamido boronic acid inhibitor	2.10 Å	1VSB	1VSB	1VSB	1VSB	1VSB	1VSB	Stoll et al., 1998
complex with D-naphthyl-1-acetamido boronic acid inhibitor	2.60 Å	3VSB	3VSB	3VSB	3VSB	3VSB	3VSB	Stoll et al., 1998
trypsin 1 ( Bos taurus)
complex with	1.80 Å	1BTW	1BTW	1BTW	1BTW	1BTW	1BTW
beta-trypsin; complex with T-butoxy-Ala-Val-boroLys ethyl ester	1.80 Å	1BTX	1BTX	1BTX	1BTX	1BTX	1BTX	Katz et al., 1995
beta-trypsin; complex with T-butoxy-Ala-Val-boroLys methyl ester	2.00 Å	1BTZ	1BTZ	1BTZ	1BTZ	1BTZ	1BTZ	Katz et al., 1995
thrombin ( Homo sapiens)
complex with acetyl-D-Phe-Pro-boroArg-OH inhibitor	1.95 Å	1LHC	1LHC	1LHC	1LHC	1LHC	1LHC	Weber et al., 1995
complex with acetyl-D-Phe-Pro-boroLys-OH inhibitor	2.35 Å	1LHD	1LHD	1LHD	1LHD	1LHD	1LHD	Weber et al., 1995
complex with AC-D-Phe-Pro-boro-N-butyl-amidino-Gly-OH	2.25 Å	1LHE	1LHE	1LHE	1LHE	1LHE	1LHE	Weber et al., 1995
complex with AC-D-Phe-Pro-boro-homoLys-OH	2.40 Å	1LHF	1LHF	1LHF	1LHF	1LHF	1LHF	Weber et al., 1995
complex with AC-D-Phe-Pro-boroornithine-OH	2.25 Å	1LHG	1LHG	1LHG	1LHG	1LHG	1LHG	Weber et al., 1995
coagulation factor XIa ( Homo sapiens)
catalytic domain; complex with 4-(guanidinomethyl)-phenylboronic acid	2.00 Å	1ZMJ	1ZMJ	1ZMJ	1ZMJ	1ZMJ	1ZMJ	Lazarova et al., 2006
catalytic domain; complex with (R)-1-(4-(4-(hydroxymethyl)-1,3,2- dioxaborolan-2-yl)phenethyl)guanidine	2.25 Å	1ZML	1ZML	1ZML	1ZML	1ZML	1ZML	Lazarova et al., 2006
catalytic domain; complex with (r)-1-(4-(4-(hydroxymethyl)-1,3, 2-dioxaborolan-2-yl)phenyl)guanidine	2.05 Å	1ZMN	1ZMN	1ZMN	1ZMN	1ZMN	1ZMN	Lazarova et al., 2006
coagulation factor XIIa ( Homo sapiens)
complex with [3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid	2.37 Å	6B77	6B77	6B77	6B77	6B77	6B77
alpha-lytic endopeptidase ( Lysobacter enzymogenes)
complex with BOC-Ala-Pro-Val boronic acid	2.00 Å	1P01	1P01	1P01	1P01	1P01	1P01	Bone et al., 1987
complex with MeOSuc-Ala-Ala-Pro-Ala boronic acid	2.00 Å	1P02	1P02	1P02	1P02	1P02	1P02	Bone et al., 1989
complex with MeOSuc-Ala-Ala-Pro-Val boronic acid	2.15 Å	1P03	1P03	1P03	1P03	1P03	1P03	Bone et al., 1989
complex with MeOSuc-Ala-Ala-Pro-Ile boronic acid	2.55 Å	1P04	1P04	1P04	1P04	1P04	1P04	Bone et al., 1989
complex with MeOSuc-Ala-Ala-Pro-Nle boronic acid	2.10 Å	1P05	1P05	1P05	1P05	1P05	1P05	Bone et al., 1989
complex with MeOSuc-Ala-Ala-Pro-Phe boronic acid	2.34 Å	1P06	1P06	1P06	1P06	1P06	1P06	Bone et al., 1989
complex with MeoSuc-Ala-Ala-Pro-Leu boronic acid	2.20 Å	9LPR	9LPR	9LPR	9LPR	9LPR	9LPR	Bone et al., 1991
kexin ( Saccharomyces cerevisiae)
complex with N-acetyl-L-alanyl-6-ammonio-N-[(1R)-4-carbamimidamido-1-(dihydroxyboranyl)butyl]-L-norleucinamide	2.40 Å	1OT5	1OT5	1OT5	1OT5	1OT5	1OT5	Holyoak et al., 2003
complex with Ac-Arg-Glu-Lys-boroArg peptidyl boronic acid inhibitor	2.20 Å	1R64	1R64	1R64	1R64	1R64	1R64	Holyoak et al., 2004
trypsin 1 ( Sus scrofa)
complex with borate	1.25 Å	2A31	2A31	2A31	2A31	2A31	2A31	Transue et al., 2006
complex with benzene boronic acid	1.50 Å	2A32	2A32	2A32	2A32	2A32	2A32	Transue et al., 2006
dipeptidyl-peptidase IV (eukaryote) ( Sus scrofa)
complex with L- Pro-boro-L-Pro (boroPro)	2.56 Å	2AJD	2AJD	2AJD	2AJD	2AJD	2AJD	Engel et al., 2006