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Inhibitor

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Structure for small-molecule serine peptidase inhibitors (unassigned)

Summary Structure

 

PDB Organism Resolution Comment
1BLS Enterobacter cloacae 2.30 Å complex with (p-iodophenylacetylamino)methylphosphinic acid
The catalytic residues are shown in ball-and-stick representation: Ser84 in orange, Lys87 in purple and Tyr170 in green. The bound inhibitor is shown in grey ball-and-stick representation.
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1SCN Bacillus licheniformis 1.90 Å complex with N-tert-butoxycarbonyl-Ala-Pro-Phe-O-benzoyl hydroxylamine
Catalytic residues are shown in ball-and-stick representation: Asp137 in pink, His168 in purple and Ser325 in orange. N-tert-butoxycarbonyl-Ala-Pro-Phe-O-benzoyl hydroxylamine is shown in grey in ball-and-stick representation.
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TERTIARY STRUCTURE DATA
Comment Resolution PDB PDBe SCOP CATH PDBSum Proteopedia Reference
subtilisin Carlsberg ( Bacillus licheniformis)
complex with N-tert-butoxycarbonyl-Ala-Pro-Phe-O-benzoyl hydroxylamine 1.90 Å 1SCN 1SCN 1SCN 1SCN 1SCN 1SCN Steinmetz et al., 1994
trypsin 1 ( Bos taurus)
complex with (5-amidino-2-benzimidazolyl) (2-benzimidazolyl)methane 1.37 Å 1C1P 1C1P 1C1P 1C1P 1C1P 1C1P Katz et al., 1998
complex with (5-amidino-2-benzimidazolyl) (2-benzimidazolyl)methane 1.37 Å 1C1Q 1C1Q 1C1Q 1C1Q 1C1Q 1C1Q Katz et al., 1998
complex with (5-amidino-2-benzimidazolyl) (2-benzimidazolyl)methane 1.37 Å 1C1R 1C1R 1C1R 1C1R 1C1R 1C1R Katz et al., 1998
complex with bis(5-amidino-2-benzimidazolyl)methane 1.63 Å 1C1S 1C1S 1C1S 1C1S 1C1S 1C1S Katz & Luong, 1999
complex with bis(5-amidino-2-benzimidazolyl)methane 1.37 Å 1C1T 1C1T 1C1T 1C1T 1C1T 1C1T Katz et al., 1998
complex with bis(5-amidino-2-benzimidazolyl)methane ketone 1.65 Å 1C2D 1C2D 1C2D 1C2D 1C2D 1C2D Katz et al., 1998
complex with bis(5-amidino-2-benzimidazolyl)methane ketone 1.65 Å 1C2E 1C2E 1C2E 1C2E 1C2E 1C2E Katz et al., 1998
complex with bis(5-amidino-2-benzimidazolyl)methane ketone hydrate 1.70 Å 1C2F 1C2F 1C2F 1C2F 1C2F 1C2F Katz et al., 1998
complex with bis(5-amidino-2-benzimidazolyl)methane ketone hydrate 1.65 Å 1C2G 1C2G 1C2G 1C2G 1C2G 1C2G Katz et al., 1998
complex with bis(5-amidino-2-benzimidazolyl)methane ketone hydrate 1.40 Å 1C2H 1C2H 1C2H 1C2H 1C2H 1C2H Katz et al., 1998
complex with bis(5-amidino-2-benzimidazolyl)methane ketone hydrate 1.47 Å 1C2I 1C2I 1C2I 1C2I 1C2I 1C2I Katz et al., 1998
complex with bis(5-amidino-2-benzimidazolyl)methane ketone 1.40 Å 1C2J 1C2J 1C2J 1C2J 1C2J 1C2J Katz et al., 1998
complex with 5-amidino-benzimidazole 1.65 Å 1C2K 1C2K 1C2K 1C2K 1C2K 1C2K Katz et al., 1998
complex with inhibitor BPO 2.00 Å 1EB2 1EB2 1EB2 1EB2 1EB2 1EB2 Liebeschuetz et al., 2002
complex with RPR131247 inhibitor 1.80 Å 1F0T 1F0T 1F0T 1F0T 1F0T 1F0T Maignan et al., 2000
complex with RPR128515 inhibitor 1.90 Å 1F0U 1F0U 1F0U 1F0U 1F0U 1F0U Maignan et al., 2000
complex with 2-(2-hydroxy-phenyl)-3H-benzoimidazole-5-carboxamidine 1.37 Å 1GI4 1GI4 1GI4 1GI4 1GI4 1GI4 Katz et al., 2001
complex with [4-([5-benzyloxy-1-(3-carbamimidoyl-benzyl)-1H-indole-2-carbonyl]-amino-methyl)-phenyl]-trimethyl-ammonium 2.20 Å 1LQE 1LQE 1LQE 1LQE 1LQE 1LQE Matter et al., 2002
complex with aminomethylcyclohexane 1.80 Å 1TNG 1TNG 1TNG 1TNG 1TNG 1TNG Kurinov & Harrison, 1994
complex with 4-fluorobenzylamine 1.80 Å 1TNH 1TNH 1TNH 1TNH 1TNH 1TNH Kurinov & Harrison, 1994
complex with 4-phenylbutylamine 1.90 Å 1TNI 1TNI 1TNI 1TNI 1TNI 1TNI Kurinov & Harrison, 1994
complex with 2-phenylethylamine 1.80 Å 1TNJ 1TNJ 1TNJ 1TNJ 1TNJ 1TNJ Kurinov & Harrison, 1994
complex with 3-phenylpropylamine 1.80 Å 1TNK 1TNK 1TNK 1TNK 1TNK 1TNK Kurinov & Harrison, 1994
complex with tranylcypromine 1.90 Å 1TNL 1TNL 1TNL 1TNL 1TNL 1TNL Kurinov & Harrison, 1994
complex with bis(5-amidino-benzimidazolyl) methane zinc 2.04 Å 1XUF 1XUF 1XUF 1XUF 1XUF 1XUF Katz et al., 1998
complex with bis(5-amidino-benzimidazolyl) methane 1.50 Å 1XUG 1XUG 1XUG 1XUG 1XUG 1XUG Katz et al., 1998
complex with bis(5-amidino-2-benzimidazolyl)methanone and cobalt, pH 8.2 2.37 Å 1XUH 1XUH 1XUH 1XUH 1XUH 1XUH Katz et al., 1998
complex with bis(5-amidino-2-benzimidazolyl)methanone, pH 8.2 1.50 Å 1XUI 1XUI 1XUI 1XUI 1XUI 1XUI Katz et al., 1998
complex with bis(5-amidino-2-benzimidazolyl)methanone zinc, pH 8.2 1.92 Å 1XUJ 1XUJ 1XUJ 1XUJ 1XUJ 1XUJ Katz et al., 1998
complex with bis(5-amidino-2-benzimidazolyl)methanone, pH 5.9 2.04 Å 1XUK 1XUK 1XUK 1XUK 1XUK 1XUK Katz et al., 1998
complex with 2-3'-[5'-methoxy-2'-(N-p-diaminomethylphenyl)amido]-1'-pyrido-5-(N-2''-t-butylethanol)amidobenzoic acid and benzamidine 0.97 Å 2AYW 2AYW 2AYW 2AYW 2AYW 2AYW Sherawat et al., 2007
chymotrypsin A (cattle-type) ( Bos taurus)
complex with benzohydroxamic acid/vanadate 1.50 Å 2P8O 2P8O 2P8O 2P8O 2P8O 2P8O Moulin et al., 2007
class C beta-lactamase ( Enterobacter cloacae)
complex with (p-iodophenylacetylamino)methylphosphinic acid 2.30 Å 1BLS 1BLS 1BLS 1BLS 1BLS 1BLS Lobkovsky et al., 1994
hepacivirin ( hepatitis C virus)
complex with a fragment of NS4 protein and CBz-Ile-Leu-5,5-di-fluoro-2-keto-3-aminopentanoic acid 2.40 Å 1DY8 1DY8 1DY8 1DY8 1DY8 1DY8 Di et al., 2000
complex with a fragment of NS4 protein and Boc-Glu-Leu-5,5-di-fluoro-2-keto-3-aminopentanoic acid 2.10 Å 1DY9 1DY9 1DY9 1DY9 1DY9 1DY9 Di et al., 2000
NS3 protease domain:NS4a peptide complex with covalently bound inhibitor (GW472467X) 2.60 Å 1N1L 1N1L 1N1L 1N1L 1N1L 1N1L Andrews et al., 2002
NS3 protease domain: NS4a peptide complex with N-[(2R,3S)-1-((2S)-2-[(cyclopentylamino)carbonyl]amino-3-methylbutanoyl)-2-(1-formyl-1-cyclobutyl)pyrrolidinyl]cyclopropanecarboxamide 2.75 Å 1RTL 1RTL 1RTL 1RTL 1RTL 1RTL Slater et al., 2003
hirudin ( Hirudo medicinalis)
mature  SMI 2.10 Å 1C4U 1C4U 1C4U 1C4U 1C4U 1C4U Krishnan et al., 2000
thrombin ( Homo sapiens)
complex with hirugen and (1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)- 2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro- 1H-pyrazolo[1,2-a]pyridazine-1-carboxamide 2.12 Å 1A46 1A46 1A46 1A46 1A46 1A46 St et al., 1999
complex with hirugen and (1S,7S)-7-amino-7-benzyl-N-[(1S)-4-carbamimidamido- 1-(1S)-1-hydroxy-2-oxo-2-[(2-phenylethyl)amino]ethylbutyl]- 8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine- 1-carboxamide 2.06 Å 1A5G 1A5G 1A5G 1A5G 1A5G 1A5G St et al., 1999
complex with amino(3-[(3R,5R,14S,16S,21aR)-5,14-dihydroxy-1,4,17-trioxo-16-(2-phenylethyl)icosahydro-1H-pyrrolo[1,2-d][1,4,7,11]tetraazacyclononadecin-3-yl]propylamino)methaniminium inhibitor from sponge Theonalla 1.80 Å 1AY6 1AY6 1AY6 1AY6 1AY6 1AY6 Maryanoff et al., 1993
complex with hirugen and [[[(4S,5S)-4-[[(3S,6S,8aR)-6-azanyl-5-oxo- 6-(phenylmethyl)-1,2,3,7,8,8a-hexahydroindolizin- 3-yl]carbonylamino]-5-(1,3-benzothiazol-2- yl)-5-hydroxy-pentyl]amino]-azanyl-methylidene]azanium 2.07 Å 1B5G 1B5G 1B5G 1B5G 1B5G 1B5G St et al., 1999
complex with SDZ 229-357 inhibitor 2.30 Å 1BHX 1BHX 1BHX 1BHX 1BHX 1BHX Wagner et al., 1998
complex with acetyl-hirudin and (5-amidino-2-benzimidazolyl) (2-benzimidazolyl)methane 1.75 Å 1C1U 1C1U 1C1U 1C1U 1C1U 1C1U Katz et al., 1998
complex with acetyl-hirudin and bis(5-amidino-2-benzimidazolyl)methane 1.98 Å 1C1V 1C1V 1C1V 1C1V 1C1V 1C1V Katz et al., 1998
complex with acetyl-hirudin and bis(5-amidino-2-benzimidazolyl)methane ketone hydrate 1.90 Å 1C1W 1C1W 1C1W 1C1W 1C1W 1C1W Katz et al., 1998
mature  SMI 2.10 Å 1C4U 1C4U 1C4U 1C4U 1C4U 1C4U Krishnan et al., 2000
complex with 2-(2,2-diphenyl-ethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo [1,2-A]pyridazine-5-carboxylic acid(4-carbamimidoyl-cyclohexylmethyl)-amide 2.10 Å 1C4V 1C4V 1C4V 1C4V 1C4V 1C4V Krishnan et al., 2000
complex with 2-(2,2-diphenyl-ethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4] triazolo[1,2-A]pyridazine-5-carboxylic acid [4-(2-amino-3H-imidazol-4-yl)-cyclohexyl]-amide 2.70 Å 1C4Y 1C4Y 1C4Y 1C4Y 1C4Y 1C4Y Krishnan et al., 2000
complex with 2-propyl-pentanoic acid divalent inhibitor 2.30 Å 1DIT 1DIT 1DIT 1DIT 1DIT 1DIT Krishnan et al., 1996
complex with inhibitor P798 2.10 Å 1EOJ 1EOJ 1EOJ 1EOJ 1EOJ 1EOJ Slon-Usakiewicz et al., 2000
complex with inhibitor P628 2.10 Å 1EOL 1EOL 1EOL 1EOL 1EOL 1EOL Slon-Usakiewicz et al., 2000
coagulation factor Xa ( Homo sapiens)
complex with inhibitor RPR128515 2.20 Å 1EZQ 1EZQ 1EZQ 1EZQ 1EZQ 1EZQ Maignan et al., 2000
complex with inhibitor RPR208815 2.10 Å 1F0R 1F0R 1F0R 1F0R 1F0R 1F0R Maignan et al., 2000
complex with inhibitor RPR208707 2.10 Å 1F0S 1F0S 1F0S 1F0S 1F0S 1F0S Maignan et al., 2000
urokinase-type plasminogen activator ( Homo sapiens)
complex with 3,5-diamino-N-(aminoiminomethyl)-6-chloropyrazinecarboxamide 2.10 Å 1F5L 1F5L 1F5L 1F5L 1F5L 1F5L Zeslawska et al., 2000
complex with B-chain UKI-1D inhibitor 2.60 Å 1F92 1F92 1F92 1F92 1F92 1F92 Zeslawska et al., 2000
thrombin ( Homo sapiens)
alpha-thrombin; complex with a peptidyl pyridinium methyl ketone 2.00 Å 1HBT 1HBT 1HBT 1HBT 1HBT 1HBT Rehse et al., 1995
coagulation factor Xa ( Homo sapiens)
complex with (R)-2-(3-adamantan-1-yl-ureido)-3- (3-carbamimidoyl-phenyl)-N-phenethyl-propionamide 2.22 Å 1KYE 1KYE 1KYE 1KYE 1KYE 1KYE Mueller et al., 2002
complex with [4-([5-benzyloxy-1-(3-carbamimidoyl-benzyl)-1H-indole-2-carbonyl]-amino-methyl)-phenyl]-trimethyl-ammonium 2.00 Å 1LPG 1LPG 1LPG 1LPG 1LPG 1LPG Matter et al., 2002
complex with 1-(3-carbamimidoyl-benzyl)-1H-indole-2-carboxylic acid 3-carbamimidoyl-benzylester 2.20 Å 1LPK 1LPK 1LPK 1LPK 1LPK 1LPK Matter et al., 2002
complex with 1-(3-carbamimidoyl-benzyl)-4-methyl-1H-indole-2-carboxylic acid 3,5-dichloro-benzylamide 2.40 Å 1LPZ 1LPZ 1LPZ 1LPZ 1LPZ 1LPZ Matter et al., 2002
complex with 1-(3-carbamimidoyl-benzyl)-4-methyl-1H-indole-2-carboxylic acid 3,5-dimethyl-benzylamide 2.70 Å 1LQD 1LQD 1LQD 1LQD 1LQD 1LQD Matter et al., 2002
complex with 3-chloro-n-[4-chloro-2-[[(4- chlorophenyl)amino]carbonyl]phenyl]-4-[(4-methyl-1- piperazinyl)methyl]-2-thiophenecarboxamide 2.10 Å 1MQ5 1MQ5 1MQ5 1MQ5 1MQ5 1MQ5 Adler et al., 2002
complex with 3-chloro-n-[4-chloro-2-[[(5-chloro-2- pyridinyl)amino]carbonyl]-6-methoxyphenyl]-4-[[(4,5- dihydro-2-oxazolyl)methylamino]methyl]-2- thiophenecarboxamide 2.10 Å 1MQ6 1MQ6 1MQ6 1MQ6 1MQ6 1MQ6 Adler et al., 2002
complex with RPR132747 2.05 Å 1NFU 1NFU 1NFU 1NFU 1NFU 1NFU Maignan et al., 2003
complex with RPR209685 2.10 Å 1NFW 1NFW 1NFW 1NFW 1NFW 1NFW Maignan et al., 2003
complex with RPR208944 2.15 Å 1NFX 1NFX 1NFX 1NFX 1NFX 1NFX Maignan et al., 2003
complex with RPR200095 2.10 Å 1NFY 1NFY 1NFY 1NFY 1NFY 1NFY Maignan et al., 2003
thrombin ( Homo sapiens)
complex with [phenylalaninyl-prolinyl]-[2-(pyridin-4-ylamino)-ethyl]-amine 1.80 Å 1QBV 1QBV 1QBV 1QBV 1QBV 1QBV Bone et al., 1998
dipeptidyl-peptidase IV (eukaryote) ( Homo sapiens)
complex with 5-aminomethyl- 6-(2,4-dichloro-phenyl)-2-(3,5-dimethoxy-phenyl)-pyrimidin- 4-ylamine 2.20 Å 1RWQ 1RWQ 1RWQ 1RWQ 1RWQ 1RWQ Peters et al., 2004
coagulation factor Xa ( Homo sapiens)
complex with the inhibitor 1-[6-methyl-4,5,6,7- tetrahydrothiazolo(5,4-c)pyridin-2-yl] carbonyl-2- carbamoyl-4-(6-chloronaphth-2-ylsulphonyl)piperazine 2.20 Å 1V3X 1V3X 1V3X 1V3X 1V3X 1V3X Haginoya et al., 2004
coagulation factor VIIa ( Homo sapiens)
complex with tissue factor and ethylsulfonamide-D-biphenylalanine-gln-p-aminobenzamidine 2.20 Å 1WTG 1WTG 1WTG 1WTG 1WTG 1WTG Kadono et al., 2005
complex with tissue factor and ethylsulfonamide-D-Trp-Gln-p-aminobenzamidine 2.40 Å 1WUN 1WUN 1WUN 1WUN 1WUN 1WUN Kadono et al., 2005
complex with tissue factor and ethylsulfonamide-D-5-propoxy-trp-gln-p-aminobenzamidine 2.70 Å 1WV7 1WV7 1WV7 1WV7 1WV7 1WV7 Kadono et al., 2005
complex with tissue factor and pyrazinone inhibitor 2.00 Å 1Z6J 1Z6J 1Z6J 1Z6J 1Z6J 1Z6J Schweitzer et al., 2005
coagulation factor XIa ( Homo sapiens)
catalytic domain; complex with (S)-2-(3-((R)-1-(4-bromophenyl)ethyl)ureido)-N-((S)-1-((S)-5-guanidino-1-oxo-1-(thiazol-2-yl)pentan-2-ylamino)-3-methyl-1-oxobutan-2-yl)-5-ureidopentanamide 2.25 Å 1ZOM 1ZOM 1ZOM 1ZOM 1ZOM 1ZOM Lin et al., 2006
catalytic domain; complex with 4-methyl-pentanoic acid 1-[4- guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl- p 2.10 Å 1ZPB 1ZPB 1ZPB 1ZPB 1ZPB 1ZPB Deng et al., 2006
catalytic domain; complex with 2-[2-(3-chloro-phenyl)-2-hydroxy- acetylamino]-n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl] 2.60 Å 1ZPC 1ZPC 1ZPC 1ZPC 1ZPC 1ZPC Deng et al., 2006
coagulation factor VIIa ( Homo sapiens)
complex with tissue factor and 2-[[6-[3-(aminoiminomethyl)phenoxy]- 3,5-difluro-4-[(1-methyl-3-phenylpropyl)amino]-2- pyridinyl]oxy]-b 2.52 Å 2AEI 2AEI 2AEI 2AEI 2AEI 2AEI Kohrt et al., 2005
coagulation factor Xa ( Homo sapiens)
complex with compound 50 2.70 Å 2BMG 2BMG 2BMG 2BMG 2BMG 2BMG Matter et al., 2005
complex with compound 1 2.20 Å 2BOH 2BOH 2BOH 2BOH 2BOH 2BOH Nazare et al., 2005
complex with compound 21 3.00 Å 2BQ6 2BQ6 2BQ6 2BQ6 2BQ6 2BQ6 Nazare et al., 2005
complex with compound 43 2.20 Å 2BQ7 2BQ7 2BQ7 2BQ7 2BQ7 2BQ7 Nazare et al., 2005
complex with compound 45 2.95 Å 2BQW 2BQW 2BQW 2BQW 2BQW 2BQW Nazare et al., 2005
dipeptidyl-peptidase IV (eukaryote) ( Homo sapiens)
complex with N-((2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-ylmethyl)benzamide 2.66 Å 2BUB 2BUB 2BUB 2BUB 2BUB 2BUB Nordhoff et al., 2006
coagulation factor VIIa ( Homo sapiens)
complex with PD0297121 1.72 Å 2C4F 2C4F 2C4F 2C4F 2C4F 2C4F Kohrt et al., 2006
coagulation factor Xa ( Homo sapiens)
complex with 6-chloro-N-(3S)-1-[(1S)-1-methyl-2-(4-morpholinyl)-2-oxoethyl]-2-oxo-3-pyrrolidinyl-2-naphthalenesulfonamide 2.10 Å 2CJI 2CJI 2CJI 2CJI 2CJI 2CJI Watson et al., 2006
complex with the inhibitor 2-[[4-[(5- chloroindol-2-yl)sulfonyl]piperazin-1-yl] carbonyl]thieno[3,2-b]pyridine n-oxide 2.20 Å 2D1J 2D1J 2D1J 2D1J 2D1J 2D1J Komoriya et al., 2005
complex with the inhibitor (-)-cis-n1-[(5- chloroindol-2-yl)carbonyl]-n2-[(5-methyl-4,5,6,7- tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-1,2- cyclohexanediami 2.30 Å 2EI6 2EI6 2EI6 2EI6 2EI6 2EI6 Nagata et al., 2007
coagulation factor XIa ( Homo sapiens)
catalytic domain; complex with N~2~-(aminocarbonyl)-N~1~-4-[amino(imino)methyl]amino-1-[hydroxy(1,3-thiazol-2-yl)methyl]butylvalinamide 2.00 Å 2FDA 2FDA 2FDA 2FDA 2FDA 2FDA Deng et al., 2006
dipeptidyl-peptidase IV (eukaryote) ( Homo sapiens)
complex with 6-(4-(1S,2S)-2-amino-1-[(dimethylamino)carbonyl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxopropylphenyl)-1H-[1,2,4]triazolo[1,5-A]pyridin-4-ium 2.40 Å 2FJP 2FJP 2FJP 2FJP 2FJP 2FJP Edmondson et al., 2006
tryptase beta ( Homo sapiens)
complex with 4-piperidinebutyrate to make acylenzyme 2.25 Å 2FWW 2FWW 2FWW 2FWW 2FWW 2FWW McGrath et al., 2006
complex with activated ketone inhibitor cra-29382 2.50 Å 2FXR 2FXR 2FXR 2FXR 2FXR 2FXR McGrath et al., 2006
dipeptidyl-peptidase IV (eukaryote) ( Homo sapiens)
complex with cyanopyrrolidine (C5-Pro-Pro) inhibitor 21AC 2.40 Å 2G5P 2G5P 2G5P 2G5P 2G5P 2G5P Pei et al., 2006
complex with cyanopyrrolidine (C5-Pro-Pro) inhibitor 21AG 2.30 Å 2G5T 2G5T 2G5T 2G5T 2G5T 2G5T Pei et al., 2006
complex with cyanopyrrolidine (C5-Pro-Pro) inhibitor 24B 2.00 Å 2G63 2G63 2G63 2G63 2G63 2G63 Pei et al., 2006
complex with (2S,3S)-3-3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl-1-oxo-1-pyrrolidin-1-ylbutan-2-amine 2.35 Å 2HHA 2HHA 2HHA 2HHA 2HHA 2HHA Xu et al., 2006
complex with (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one 2.35 Å 2IIT 2IIT 2IIT 2IIT 2IIT 2IIT Biftu et al., 2007
complex with (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-1,4-diazepan-2-one 2.15 Å 2IIV 2IIV 2IIV 2IIV 2IIV 2IIV Biftu et al., 2007
coagulation factor Xa ( Homo sapiens)
complex with 5-chloro-N-(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-5-chloro-N-(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-sulfonamide 1.90 Å 2J2U 2J2U 2J2U 2J2U 2J2U 2J2U Senger et al., 2006
complex with 6-chloro-N-(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl-1-benzothiophene-2-sulfonamide 2.01 Å 2J34 2J34 2J34 2J34 2J34 2J34 Senger et al., 2006
complex with 5-chloro-N-(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl-1-benzothiophene-2-sulfonamide 2.10 Å 2J38 2J38 2J38 2J38 2J38 2J38 Senger et al., 2006
complex with 1-pyrrolidineacetamide,3-[[(6-chloro-2-naphthalenyl)sulfonyl]amino]-alpha-methyl-N-(1-methylethyl)-N-[2-[(methylsulfonyl)amino]ethyl]- 2-oxo-,(alphas,3S)- 1.80 Å 2J4I 2J4I 2J4I 2J4I 2J4I 2J4I Young et al., 2006
complex with 5-(5-chloro-2-thienyl)-N-(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl-1H-1,2,4-triazole-3-sulfonamide 2.10 Å 2J94 2J94 2J94 2J94 2J94 2J94
complex with 5'-chloro-N-(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl-2,2'-bithiophene-5-sulfonamide 2.01 Å 2J95 2J95 2J95 2J95 2J95 2J95
dipeptidyl-peptidase IV (eukaryote) ( Homo sapiens)
complex with 1-(3,4- dimethoxy-phenyl)-3-m-tolyl-piperidine-4-ylamine 2.80 Å 2JID 2JID 2JID 2JID 2JID 2JID Lubbers et al., 2007
complex with pyrrolidine-constrained phenethylamine 29G 2.30 Å 2OAG 2OAG 2OAG 2OAG 2OAG 2OAG Backes et al., 2007
complex with Lilly aryl ketone inhibitor 4-[(3R)-3-[2-(4-fluorophenyl)-2-oxoethyl]aminobutyl]benzamide 2.10 Å 2OGZ 2OGZ 2OGZ 2OGZ 2OGZ 2OGZ Sheehan et al., 2007
complex with cyclic hydrazine (2R)-4-(2-benzoyl-1,2-diazepan-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-amine 2.40 Å 2OLE 2OLE 2OLE 2OLE 2OLE 2OLE Ahn et al., 2007
complex with alpha amino acid inhibitor N-(trans-4-(1S,2S)-2-amino-3-[(3S)-3-fluoropyrrolidin- 1-yl]-1-methyl-3-oxopropylcyclohexyl)-N-methylacetamide 2.40 Å 2OPH 2OPH 2OPH 2OPH 2OPH 2OPH Duffy et al., 2007
coagulation factor Xa ( Homo sapiens)
complex with 3- chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2- carboxylic acid [4-chloro-2-(5-chloro-pyridin-2- ylcarbamoyl)- 1.92 Å 2P3T 2P3T 2P3T 2P3T 2P3T 2P3T Ye et al., 2007
complex with the inhibitor 5-chloro-n-(2-(4-(2- oxopyridin-1(2h)-yl)benzamido)ethyl)thiophene-2-carboxamide 1.90 Å 2P93 2P93 2P93 2P93 2P93 2P93 Qiao et al., 2007
complex with the inhibitor 3-chloro-n-((1r,2s)- 2-(4-(2-oxopyridin-1(2h)-yl)benzamido)cyclohexyl)-1h- indole-6-carboxamide 1.80 Å 2P94 2P94 2P94 2P94 2P94 2P94 Qiao et al., 2007
complex with the inhibitor 5-chloro-n-((1r,2s)- 2-(4-(2-oxopyridin-1(2h)-yl)benzamido) cyclopentyl) thiophene-2-carboxamide 2.20 Å 2P95 2P95 2P95 2P95 2P95 2P95 Qiao et al., 2007
thrombin ( Homo sapiens)
complex with 4-([4-(3-methylbenzoyl)pyridin-2-yl]aminomethyl)benzenecarboximidamide 2.50 Å 2PKS 2PKS 2PKS 2PKS 2PKS 2PKS Blomberg et al., 2007
dipeptidyl-peptidase IV (eukaryote) ( Homo sapiens)
complex with (2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-N,N-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-A]pyridin-5-ylcyclohexyl)butanamide 2.10 Å 2QT9 2QT9 2QT9 2QT9 2QT9 2QT9 Kaelin et al., 2007
complex with (2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-A]pyridin-6-ylcyclohexyl)butanamide 2.25 Å 2QTB 2QTB 2QTB 2QTB 2QTB 2QTB Kaelin et al., 2007
coagulation factor Xa ( Homo sapiens)
complex with 4,4-disubstituted pyrrolidine-1,2-dicarboxamide inhibitor 2 1.90 Å 2W3I 2W3I 2W3I 2W3I 2W3I 2W3I Van et al., 2009
complex with 4,4-disubstituted pyrrolidine-1,2-dicarboxamide inhibitor 1 2.05 Å 2W3K 2W3K 2W3K 2W3K 2W3K 2W3K Van et al., 2009
coagulation factor VIIa ( Homo sapiens)
complex with tissue factor and ethylsulfonamide-D-5-(3-carboxybenzyloxy)-trp-gln-p- aminobenzamidine 2.50 Å 2ZZU 2ZZU 2ZZU 2ZZU 2ZZU 2ZZU Shiraishi et al., 2010
coagulation factor XIa ( Homo sapiens)
complex with clavatadine A 1.60 Å 3BG8 3BG8 3BG8 3BG8 3BG8 3BG8 Buchanan et al., 2008
dipeptidyl-peptidase IV (eukaryote) ( Homo sapiens)
complex with (2S,3S)-4-cyclopropyl-3-(3R,5R)-3-[2-fluoro- 4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin- 5-yl-1-[(3S)-3-fluoropyrrolidin-1-yl]-1- oxobutan-2-amine 2.30 Å 3C43 3C43 3C43 3C43 3C43 3C43 Edmondson et al., 2008
complex with (2S,3S)-3-3-[2-chloro-4-(methylsulfonyl)phenyl]- 1,2,4-oxadiazol-5-yl-1-cyclopentylidene- 4-cyclopropyl-1-fluorobutan-2-amine 2.05 Å 3C45 3C45 3C45 3C45 3C45 3C45 Edmondson et al., 2008
complex with 1-biphenyl-2-ylmethanamine 2.49 Å 3CCB 3CCB 3CCB 3CCB 3CCB 3CCB Wallace et al., 2008
complex with 7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl- 1H-benzimidazole-5-carbonitrile 2.71 Å 3CCC 3CCC 3CCC 3CCC 3CCC 3CCC Wallace et al., 2008
4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl- 3-carboxamide 2.00 Å 3D4L 3D4L 3D4L 3D4L 3D4L 3D4L Liang et al., 2008
prostasin ( Homo sapiens)
complex with benzyl [(1S)-5-amino-1-[(1S)-1-((1S)-5- amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentylcarbamoyl)- 3-phenylpropyl]carbamoylpentyl]carbamate 1.60 Å 3E16 3E16 3E16 3E16 3E16 3E16 Tully et al., 2008
coagulation factor Xa ( Homo sapiens)
complex with methyl (2Z)- 3-[(3-chloro-1h-indol-7-yl)amino]-2-cyano-3-[(3s)-2-oxo-1- (2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]aminoacrylat 2.30 Å 3ENS 3ENS 3ENS 3ENS 3ENS 3ENS Shi et al., 2008
cytomegalovirus assemblin ( human herpesvirus 5)
complex with N-acetyl-L-valyl-3,3-dimethyl-L-alpha-aspartyl-N~4~,N~4~-dimethyl-N~1~-[(1R)-3,3,3-trifluoro-1-methyl-2-oxopropyl]-L-aspartamide 2.50 Å 1NJT 1NJT 1NJT 1NJT 1NJT 1NJT Khayat et al., 2003
complex with N-(6-aminohexanoyl)-3-methyl-L-valyl-3-methyl- L-valyl-N~1~-[(2S,3S)-3-hydroxy-4-oxo-4-[(1R)- 1-phenylpropyl]aminobutan-2-yl]-N~4~,N~4~- dimethyl-L-aspartamide 2.70 Å 1NJU 1NJU 1NJU 1NJU 1NJU 1NJU Khayat et al., 2003
complex with N-acetyl-L-valyl-3,3-dimethyl-L-alpha-aspartyl-N~4~,N~4~-dimethyl-N~1~-[(1R)-3,3,3-trifluoro-1-methyl-2-oxopropyl]-L-aspartamide 2.60 Å 1NKK 1NKK 1NKK 1NKK 1NKK 1NKK Khayat et al., 2003
complex with N-(6-aminohexanoyl)-3-methyl-L-valyl-3-methyl-L-valyl-N~4~,N~4~-dimethyl-N~1~-[(1R)-1-methyl-2,3-dioxo-3-[(1S)-1- phenylpropyl]aminopropyl]-L-aspartamide 2.70 Å 1NKM 1NKM 1NKM 1NKM 1NKM 1NKM Khayat et al., 2003
dipeptidyl-peptidase IV (eukaryote) ( Rattus norvegicus)
complex with thiazole-based peptide mimetic number 31 3.00 Å 2OAE 2OAE 2OAE 2OAE 2OAE 2OAE Backes et al., 2007
D-Ala-D-Ala carboxypeptidase B ( Streptomyces lividans)
complex with cephalothin 1.76 Å 1CEG 1CEG 1CEG 1CEG 1CEG 1CEG Kuzin et al., 1995
complex with monocyclic phosphate inhibitor (2Z)-3-[oxido(oxo)phosphino]oxy-2-phenylacrylate 1.13 Å 1SCW 1SCW 1SCW 1SCW 1SCW 1SCW Silvaggi et al., 2004
complex with bicyclic phosphate inhibitor 2-[(dioxidophosphino)oxy]benzoate 1.15 Å 1SDE 1SDE 1SDE 1SDE 1SDE 1SDE Silvaggi et al., 2004
elastase-1 ( Sus scrofa)
complex with benzyl methyl aminimide inhibitor 1.80 Å 1BMA 1BMA 1BMA 1BMA 1BMA 1BMA Peisach et al., 1995
prolyl oligopeptidase ( Sus scrofa)
mutant; complex with N-[(benzyloxy)carbonyl]glycyl-L-proline 1.50 Å 1E8M 1E8M 1E8M 1E8M 1E8M 1E8M Fulop et al., 2001
elastase-1 ( Sus scrofa)
complex with 3-[[(methylamino)sulfonyl]amino]-2-oxo-6-phenyl-N-[3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]-1(2H)-pyridine acetamide 1.80 Å 1EAS 1EAS 1EAS 1EAS 1EAS 1EAS Bernstein et al., 1994
complex with N-(tert-butoxycarbonyl-Ala-Ala)-O-(p-nitrobenzoyl) hydroxylamine 1.70 Å 1ELF 1ELF 1ELF 1ELF 1ELF 1ELF Ding et al., 1995
complex with N-(tert-butoxycarbonyl-Ala-Ala)-O-(p-nitrobenzoyl) hydroxylamine at pH5 1.65 Å 1ELG 1ELG 1ELG 1ELG 1ELG 1ELG Ding et al., 1995
complex with benzoxazinone inhibitor 1.94 Å 1INC 1INC 1INC 1INC 1INC 1INC Radhakrishnan et al., 1987
dipeptidyl-peptidase IV (eukaryote) ( Sus scrofa)
complex with 1-methylamine-1-benzyl-cyclopentane 2.56 Å 2BUA 2BUA 2BUA 2BUA 2BUA 2BUA Nordhoff et al., 2006
complex with (S)-2-[(R)-3-amino-4-(2-fluoro-phenyl)-butyryl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide 2.50 Å 2BUC 2BUC 2BUC 2BUC 2BUC 2BUC Nordhoff et al., 2006
elastase-1 ( Sus scrofa)
complex with inhibitor JM54 1.67 Å 2V35 2V35 2V35 2V35 2V35 2V35 Oliveira et al., 2007

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