7ZRT
 
 | | Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK970 | | Descriptor: | 1,2-ETHANEDIOL, 1,3,5-tris(bromomethyl)benzene, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Caregnato, A, Angela, P, Mazzoccato, Y, Frasson, N, Angelini, A, Cendron, L. | | Deposit date: | 2022-05-05 | | Release date: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK970
To Be Published
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5GXP
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8ADT
 | | Rational design of a calcium-independent trypsin variant | | Descriptor: | Serine protease 1 | | Authors: | Simon, A.H, Liebscher, S, Kattner, A, Kattner, C, Bordusa, F. | | Deposit date: | 2022-07-11 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Rational Design of a Calcium-Independent Trypsin Variant
Catalysts, 12, 2022
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8B1Y
 | | STRUCTURE OF PORCINE PANCREATIC ELASTASE BOUND TO A FRAGMENT OF A 5-AZAINDAZOLE INHIBITOR | | Descriptor: | 1-cyclopropylcarbonylpyrazolo[4,3-c]pyridine-3-carbonitrile, CALCIUM ION, Chymotrypsin-like elastase family member 1, ... | | Authors: | Ferraroni, M, Giovannoni, P, Gerace, A. | | Deposit date: | 2022-09-12 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | X-ray structural study of human neutrophil elastase inhibition with a series of azaindoles, azaindazoles and isoxazolones
J.Mol.Struct., 1274, 2023
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8B04
 | | STRUCTURE OF PORCINE PANCREATIC ELASTASE BOUND TO A FRAGMENT OF AN ISOXAZOLONE INHIBITOR | | Descriptor: | 2-cyclopropylcarbonyl-3-propan-2-yl-1,2-oxazol-5-one, CALCIUM ION, Chymotrypsin-like elastase family member 1, ... | | Authors: | Ferraroni, M, Giovannoni, P, Masini, V. | | Deposit date: | 2022-09-07 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-ray structural study of human neutrophil elastase inhibition with a series of azaindoles, azaindazoles and isoxazolones
J.Mol.Struct., 1274, 2023
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5F8T
 | | The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-2 | | Descriptor: | CYS-PRO-LYS-ARG-PHE-M70-ALA-LEU-PHE-CYS, Plasma kallikrein light chain, SULFATE ION, ... | | Authors: | Xu, M, Jiang, L, Xu, P, Luo, Z, Andreasen, P, Huang, M. | | Deposit date: | 2015-12-09 | | Release date: | 2016-12-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-2
To Be Published
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5HGG
 | | Crystal structure of uPA in complex with a camelid-derived antibody fragment | | Descriptor: | (3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-2-YL]BUTYL LAURATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Camelid Derived Antibody Fragment, ... | | Authors: | Yung, K.W.Y, Kromann-Hansen, T, Andreasen, P.A, Ngo, J.C.K. | | Deposit date: | 2016-01-08 | | Release date: | 2016-06-01 | | Last modified: | 2016-08-10 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | A Camelid-derived Antibody Fragment Targeting the Active Site of a Serine Protease Balances between Inhibitor and Substrate Behavior
J.Biol.Chem., 291, 2016
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8A3Q
 | | Human Plasma Kallekrein in complex with 14W | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasma kallikrein, ... | | Authors: | McEwan, P.A. | | Deposit date: | 2022-06-08 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Sebetralstat (KVD900): A Potent and Selective Small Molecule Plasma Kallikrein Inhibitor Featuring a Novel P1 Group as a Potential Oral On-Demand Treatment for Hereditary Angioedema.
J.Med.Chem., 65, 2022
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8BO7
 | | COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 34 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[[(2~{S})-2-[4-(5-chloranyl-2-cyano-phenyl)-3-methoxy-6-oxidanylidene-2,5-dihydropyridin-1-yl]-3-[(2~{S})-oxan-2-yl]propanoyl]amino]benzoic acid, CITRIC ACID, ... | | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. | | Deposit date: | 2022-11-14 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
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8BO4
 | | COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 1 | | Descriptor: | 4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide, Coagulation factor XIa light chain, GLYCEROL | | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, M, Lang, D, Heitmeier, S, Hillisch, A. | | Deposit date: | 2022-11-14 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
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8BO3
 | | COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR Asundexian | | Descriptor: | 4-[[(2~{S})-2-[4-[5-chloranyl-2-[4-(trifluoromethyl)-1,2,3-triazol-1-yl]phenyl]-5-methoxy-2-oxidanylidene-pyridin-1-yl]butanoyl]amino]-2-fluoranyl-benzamide, CITRIC ACID, Coagulation factor XIa light chain | | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. | | Deposit date: | 2022-11-14 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.841 Å) | | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
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8BO5
 | | COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 3 | | Descriptor: | 2-[4-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-1-yl]-~{N}-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide, CITRIC ACID, Coagulation factor XIa light chain, ... | | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. | | Deposit date: | 2022-11-14 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
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8BO6
 | | COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 2 | | Descriptor: | (~{E})-~{N}-[[5-(3-azanyl-1~{H}-indazol-6-yl)-4-chloranyl-1~{H}-imidazol-2-yl]methyl]-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide, CITRIC ACID, Coagulation factor XIa light chain, ... | | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. | | Deposit date: | 2022-11-14 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
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5GCH
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7VM5
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7VM6
 | | Crystal structure of uPA in complex with 6-amidino-2-naphthol | | Descriptor: | 6-oxidanylnaphthalene-2-carboximidamide, SULFATE ION, TRIETHYLENE GLYCOL, ... | | Authors: | Jiang, L.G, Huang, M.D. | | Deposit date: | 2021-10-07 | | Release date: | 2022-10-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural study of the uPA-nafamostat complex reveals a covalent inhibitory mechanism of nafamostat.
Biophys.J., 121, 2022
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7VM4
 | | Crystal structure of uPA in complex with nafamostat | | Descriptor: | 4-carbamimidamidobenzoic acid, TRIETHYLENE GLYCOL, Urokinase-type plasminogen activator | | Authors: | Jiang, L.G, Huang, M.D. | | Deposit date: | 2021-10-07 | | Release date: | 2022-10-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural study of the uPA-nafamostat complex reveals a covalent inhibitory mechanism of nafamostat.
Biophys.J., 121, 2022
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7VM7
 | | Crystal structure of inactive uPA in complex with nafamostat | | Descriptor: | (6-carbamimidoylnaphthalen-2-yl) 4-carbamimidamidobenzoate, Urokinase-type plasminogen activator chain B | | Authors: | Jiang, L.G, Huang, M.D. | | Deposit date: | 2021-10-07 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural study of the uPA-nafamostat complex reveals a covalent inhibitory mechanism of nafamostat.
Biophys.J., 121, 2022
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7WB8
 | | Crystal structure of Bovine Pancreatic Trypsin in complex with 5-Methoxytryptamine at Room Temperature | | Descriptor: | 2-(5-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ... | | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | | Deposit date: | 2021-12-15 | | Release date: | 2022-06-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8.
Acta Crystallogr.,Sect.F, 78, 2022
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7WA0
 | | Crystal structure of Bovine Pancreatic Trypsin in complex with Benzamidine at Room Temperature | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | | Deposit date: | 2021-12-11 | | Release date: | 2022-06-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8.
Acta Crystallogr.,Sect.F, 78, 2022
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7WB7
 | | Crystal structure of Bovine Pancreatic Trypsin in complex with Serotonin at Room Temperature | | Descriptor: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | | Deposit date: | 2021-12-15 | | Release date: | 2022-06-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8.
Acta Crystallogr.,Sect.F, 78, 2022
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7WB9
 | | Crystal structure of Bovine Pancreatic Trypsin in complex with 5-Chlorotryptamine at Room Temperature | | Descriptor: | 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ... | | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | | Deposit date: | 2021-12-15 | | Release date: | 2022-06-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8.
Acta Crystallogr.,Sect.F, 78, 2022
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7WBA
 | | Crystal structure of Bovine Pancreatic Trypsin in complex with Tryptamine at Room Temperature | | Descriptor: | 2-(1H-INDOL-3-YL)ETHANAMINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | | Deposit date: | 2021-12-15 | | Release date: | 2022-06-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8.
Acta Crystallogr.,Sect.F, 78, 2022
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7WB6
 | | Crystal structure of Bovine Pancreatic Trypsin in complex with 4-Bromobenzamidine at Room Temperature | | Descriptor: | 4-bromanylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ... | | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | | Deposit date: | 2021-12-15 | | Release date: | 2022-06-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8.
Acta Crystallogr.,Sect.F, 78, 2022
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7WA2
 | | Crystal structure of Bovine Pancreatic Trypsin in complex with 4-Methoxybenzamidine at Room Temperature | | Descriptor: | 4-methoxybenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ... | | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | | Deposit date: | 2021-12-11 | | Release date: | 2022-06-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8.
Acta Crystallogr.,Sect.F, 78, 2022
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