5WXT
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![BU of 5wxt by Molmil](/molmil-images/mine/5wxt) | Crystal structure of uPA-S195A in complex with S2444 | Descriptor: | (2R)-N-[2-[[(2S)-1-[[4-[bis(oxidanyl)amino]phenyl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide, Urokinase-type plasminogen activator chain B | Authors: | Jiang, L, Huang, M. | Deposit date: | 2017-01-08 | Release date: | 2018-07-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of uPA-S195A in complex with S2444 To Be Published
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4Q7X
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![BU of 4q7x by Molmil](/molmil-images/mine/4q7x) | Neutrophil serine protease 4 (PRSS57) apo form 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Serine protease 57, ... | Authors: | Eigenbrot, C, Lin, S.J, Dong, K.C. | Deposit date: | 2014-04-25 | Release date: | 2014-09-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structures of neutrophil serine protease 4 reveal an unusual mechanism of substrate recognition by a trypsin-fold protease. Structure, 22, 2014
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5TKU
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![BU of 5tku by Molmil](/molmil-images/mine/5tku) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE | Descriptor: | 1,2-ETHANEDIOL, Factor XIa (Light Chain), METHYL ((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]N ONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE, ... | Authors: | Sheriff, S. | Deposit date: | 2016-10-07 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker. J. Med. Chem., 60, 2017
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5TKS
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![BU of 5tks by Molmil](/molmil-images/mine/5tks) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE | Descriptor: | ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE, 1,2-ETHANEDIOL, Coagulation factor XI, ... | Authors: | Sheriff, S. | Deposit date: | 2016-10-07 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker. J. Med. Chem., 60, 2017
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5WXP
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![BU of 5wxp by Molmil](/molmil-images/mine/5wxp) | Crystal structure of uPA in complex with upain-2-3-W3A | Descriptor: | ALANINE, CYSTEINE, Urokinase-type plasminogen activator chain B, ... | Authors: | Jiang, L, Huang, M. | Deposit date: | 2017-01-08 | Release date: | 2018-07-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Cleavage of peptidic inhibitors by target protease is caused by peptide conformational transition. Biochim. Biophys. Acta, 1862, 2018
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5WI6
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![BU of 5wi6 by Molmil](/molmil-images/mine/5wi6) | Human beta-1 tryptase mutant Ile99Cys | Descriptor: | L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, SULFATE ION, Tryptase alpha/beta-1 | Authors: | Eigenbrot, C, Maun, H.R. | Deposit date: | 2017-07-18 | Release date: | 2018-04-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Dual functionality of beta-tryptase protomers as both proteases and cofactors in the active tetramer. J. Biol. Chem., 293, 2018
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5WXQ
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![BU of 5wxq by Molmil](/molmil-images/mine/5wxq) | |
4R0I
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![BU of 4r0i by Molmil](/molmil-images/mine/4r0i) | CRYSTAL STRUCTURE of MATRIPTASE in COMPLEX WITH INHIBITOR | Descriptor: | 3-({(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}oxy)benzenecarboximidamide, SERINE PROTEASE, MATRIPTASE, ... | Authors: | Rao, K.N, Ashok, K.N, Chakshusmathi, G, Rajeev, G, Subramanya, H. | Deposit date: | 2014-07-31 | Release date: | 2015-02-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of O-(3-carbamimidoylphenyl)-l-serine amides as matriptase inhibitors using a fragment-linking approach Bioorg.Med.Chem.Lett., 25, 2015
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5WXF
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![BU of 5wxf by Molmil](/molmil-images/mine/5wxf) | Crystal structure of uPA in complex with upain-2-2 | Descriptor: | SULFATE ION, Urokinase-type plasminogen activator chain B, upain-2-2 peptide | Authors: | Jiang, L, Huang, M. | Deposit date: | 2017-01-07 | Release date: | 2018-07-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Cleavage of peptidic inhibitors by target protease is caused by peptide conformational transition. Biochim. Biophys. Acta, 1862, 2018
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5WXR
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![BU of 5wxr by Molmil](/molmil-images/mine/5wxr) | |
5WXO
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![BU of 5wxo by Molmil](/molmil-images/mine/5wxo) | Crystal structure of uPA in complex with upain-2-2-W3A | Descriptor: | Urokinase-type plasminogen activator chain B, upain-2-2-W3A peptide | Authors: | Jiang, L, Huang, M. | Deposit date: | 2017-01-08 | Release date: | 2018-07-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Cleavage of peptidic inhibitors by target protease is caused by peptide conformational transition. Biochim. Biophys. Acta, 1862, 2018
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5WXS
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![BU of 5wxs by Molmil](/molmil-images/mine/5wxs) | Crystal structure of uPA in complex with S2444 | Descriptor: | (2R)-N-[2-[[(2S)-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-1,2-dihydropyrrole-2-carboxamide, Urokinase-type plasminogen activator chain B | Authors: | Jiang, L, Huang, M. | Deposit date: | 2017-01-08 | Release date: | 2018-07-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of uPA in complex with S2444 To Be Published
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5WOT
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![BU of 5wot by Molmil](/molmil-images/mine/5wot) | |
4TPY
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![BU of 4tpy by Molmil](/molmil-images/mine/4tpy) | High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, ... | Authors: | Teplitsky, E, Joshi, K, Mullen, J.D, Soares, A.S. | Deposit date: | 2014-06-10 | Release date: | 2014-10-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density. J.Struct.Biol., 191, 2015
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5XRF
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![BU of 5xrf by Molmil](/molmil-images/mine/5xrf) | Crystal structure of Da-36, a thrombin-like enzyme from Deinagkistrodon acutus | Descriptor: | DI(HYDROXYETHYL)ETHER, Snake venom serine protease Da-36, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lin, C.-C, Wu, W.-G, Fan, Q, Tian, J, Zhang, Z, Zheng, Y. | Deposit date: | 2017-06-08 | Release date: | 2018-06-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of Da-36, a thrombin-like enzyme from Deinagkistrodon acutus To Be Published
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5XWJ
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![BU of 5xwj by Molmil](/molmil-images/mine/5xwj) | Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, TRE, at pH 7 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Acetylated-THR-ARG-GLU Inhibitor, CALCIUM ION, ... | Authors: | Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A. | Deposit date: | 2017-06-29 | Release date: | 2018-03-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera. Insect Biochem. Mol. Biol., 95, 2018
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5XWL
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![BU of 5xwl by Molmil](/molmil-images/mine/5xwl) | Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, TRE, at pH 10 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Acetylated-THR-ARG-GLU Inhibitor, CALCIUM ION, ... | Authors: | Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A. | Deposit date: | 2017-06-29 | Release date: | 2018-03-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera. Insect Biochem. Mol. Biol., 95, 2018
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5XG4
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![BU of 5xg4 by Molmil](/molmil-images/mine/5xg4) | Crystal structure of uPA in complex with quercetin | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Urokinase-type plasminogen activator | Authors: | Jiang, L, Huang, M. | Deposit date: | 2017-04-11 | Release date: | 2017-07-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A structural mechanism of flavonoids in inhibiting serine proteases Food Funct, 8, 2017
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5XW1
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![BU of 5xw1 by Molmil](/molmil-images/mine/5xw1) | Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRN, at pH10 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Acetylated-Pro-Arg-Asn Inhibitor, CALCIUM ION, ... | Authors: | Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A. | Deposit date: | 2017-06-28 | Release date: | 2018-07-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Reactive centre loop peptides devoid of potato protease inhibitor-II protein scaffold inhibit serine proteases To Be Published
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5XW8
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![BU of 5xw8 by Molmil](/molmil-images/mine/5xw8) | Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRN, at pH 7 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Acetylated-Pro-Arg-Asn Inhibitor, CALCIUM ION, ... | Authors: | Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A. | Deposit date: | 2017-06-29 | Release date: | 2018-03-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera. Insect Biochem. Mol. Biol., 95, 2018
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5Y9L
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![BU of 5y9l by Molmil](/molmil-images/mine/5y9l) | Human kallikrein 7 in complex with 1,3,6-trisubstituted 1,4-diazepane-7-one | Descriptor: | 3-[2-[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid, CHLORIDE ION, Kallikrein-7 | Authors: | Sugawara, H. | Deposit date: | 2017-08-25 | Release date: | 2017-11-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors Bioorg. Med. Chem. Lett., 27, 2017
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5YC6
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![BU of 5yc6 by Molmil](/molmil-images/mine/5yc6) | The crystal structure of uPA in complex with 4-Bromobenzylamirne at pH4.6 | Descriptor: | 1-(4-BROMOPHENYL)METHANAMINE, SULFATE ION, TRIETHYLENE GLYCOL, ... | Authors: | Jiang, L.G, Zhang, X, Huang, M.D. | Deposit date: | 2017-09-06 | Release date: | 2018-10-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases Rsc Adv, 8, 2018
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5YJP
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![BU of 5yjp by Molmil](/molmil-images/mine/5yjp) | Human chymase in complex with 3-(ethoxyimino)-7-oxo-1,4-diazepane derivative | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-3-(ethoxyimino)-7-oxo-1,4-diazepane-1-carboxamido)propyl)benzoic acid, ZINC ION, ... | Authors: | Sugawara, H. | Deposit date: | 2017-10-11 | Release date: | 2017-12-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors Bioorg. Med. Chem. Lett., 28, 2018
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5YC7
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![BU of 5yc7 by Molmil](/molmil-images/mine/5yc7) | |
5YJK
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![BU of 5yjk by Molmil](/molmil-images/mine/5yjk) | Human kallikrein 7 in complex with 1,4-diazepane-7-one 1-acetamide derivative | Descriptor: | (R)-2-(6-(5-chloro-2-methoxybenzyl)-3-(2,2-dimethylhydrazono)-7-oxo-1,4-diazepan-1-yl)-N-(3-(methylsulfonyl)phenyl)acetamide, CHLORIDE ION, Kallikrein-7 | Authors: | Sugawara, H. | Deposit date: | 2017-10-11 | Release date: | 2017-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors Bioorg. Med. Chem. Lett., 27, 2017
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