6DWR
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![BU of 6dwr by Molmil](/molmil-images/mine/6dwr) | Trypsin serine protease modified with the protease inhibitor cyanobenzylsulfonylfluoride | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | Authors: | Luo, M, Eaton, C.N, Phillips-Piro, C.M. | Deposit date: | 2018-06-27 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.319 Å) | Cite: | Paired Spectroscopic and Crystallographic Studies of Protease Active Sites Chemistryselect, 4, 2019
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5EG4
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![BU of 5eg4 by Molmil](/molmil-images/mine/5eg4) | BOVINE TRYPSIN IN COMPLEX WITH CYCLIC INHIBITOR | Descriptor: | (13S,16R)-N-(4-carbamimidoylbenzyl)-16-((N-cyclohexylsulfamoyl)amino)-3,9,15-trioxo-2,10,14-triaza-6(1,4)-piperazina-1, 11(1,4)-dibenzenacycloheptadecaphane-13-carboxamide, ACETATE ION, ... | Authors: | Knoerlein, A, Wagner, S, Heine, A, Steinmetzer, T, Klebe, G. | Deposit date: | 2015-10-26 | Release date: | 2016-07-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Optimization of Cyclic Plasmin Inhibitors: From Benzamidines to Benzylamines. J.Med.Chem., 59, 2016
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2OXS
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![BU of 2oxs by Molmil](/molmil-images/mine/2oxs) | Crystal Structure of the trypsin complex with benzamidine at high temperature (35 C) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Alok, A, Sinha, M, Singh, N, Sharma, S, Kaur, P, Singh, T.P. | Deposit date: | 2007-02-21 | Release date: | 2007-03-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Crystal Structure of the trypsin complex with benzamidine at high temperature (35 C) To be Published
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1O3D
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![BU of 1o3d by Molmil](/molmil-images/mine/1o3d) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | Deposit date: | 2003-03-06 | Release date: | 2003-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
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5MNQ
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![BU of 5mnq by Molmil](/molmil-images/mine/5mnq) | Cationic trypsin in complex with a derivative of N-amidinopiperidine | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiebel, J, Ngo, K, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.337 Å) | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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5PTP
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9BOM
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![BU of 9bom by Molmil](/molmil-images/mine/9bom) | Crystal structure of reduced bovine trypsin, 25mM DTT-treated | Descriptor: | BENZAMIDINE, Cationic trypsin | Authors: | Zhou, D, Chen, L, Rose, J.P, Wang, B.C. | Deposit date: | 2024-05-03 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal structure of reduced bovine trypsin, 25mM DTT-treated To Be Published
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9BOK
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![BU of 9bok by Molmil](/molmil-images/mine/9bok) | Crystal structure of reduced bovine trypsin, 50mM DTT-treated | Descriptor: | BENZAMIDINE, Cationic trypsin | Authors: | Zhou, D, Chen, L, Rose, J.P, Wang, B.C. | Deposit date: | 2024-05-03 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal structure of reduced bovine trypsin, 50mM DTT-treated To Be Published
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4KTU
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![BU of 4ktu by Molmil](/molmil-images/mine/4ktu) | Bovine trypsin in complex with microviridin J at pH 6.5 | Descriptor: | CALCIUM ION, Cationic trypsin, microviridin j | Authors: | Quitterer, F, Groll, M, Hertweck, C, Dittmann, E. | Deposit date: | 2013-05-21 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Harnessing the evolvability of tricyclic microviridins to dissect protease-inhibitor interactions. Angew.Chem.Int.Ed.Engl., 53, 2014
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1P2J
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![BU of 1p2j by Molmil](/molmil-images/mine/1p2j) | Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin | Descriptor: | CALCIUM ION, Pancreatic trypsin inhibitor, SULFATE ION, ... | Authors: | Helland, R, Czapinska, H, Leiros, I, Olufsen, M, Otlewski, J, Smalaas, A.O. | Deposit date: | 2003-04-15 | Release date: | 2004-04-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural consequences of accommodation of four non-cognate amino acid residues in the S1 pocket of bovine trypsin and chymotrypsin. J.Mol.Biol., 333, 2003
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7BRX
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![BU of 7brx by Molmil](/molmil-images/mine/7brx) | Bovine Pancreatic Trypsin with 5-Methoxytryptamine (Room Temperature) | Descriptor: | 2-(5-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | Deposit date: | 2020-03-30 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
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7Z25
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![BU of 7z25 by Molmil](/molmil-images/mine/7z25) | TRYPSIN (BOVINE) COMPLEXED WITH compound 12 | Descriptor: | 2-(5-bromanyl-7-fluoranyl-2-methyl-1H-indol-3-yl)ethanamine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Schiering, N, Dalvit, C, Vulpetti, A. | Deposit date: | 2022-02-25 | Release date: | 2022-05-25 | Last modified: | 2022-07-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Efficient Screening of Target-Specific Selected Compounds in Mixtures by 19 F NMR Binding Assay with Predicted 19 F NMR Chemical Shifts. Chemmedchem, 17, 2022
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6YIU
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![BU of 6yiu by Molmil](/molmil-images/mine/6yiu) | |
4B2B
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![BU of 4b2b by Molmil](/molmil-images/mine/4b2b) | Structure of the factor Xa-like trypsin variant triple-Ala (TGPA) in complex with eglin C | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ... | Authors: | Menzel, A, Neumann, P, Stubbs, M.T. | Deposit date: | 2012-07-13 | Release date: | 2012-08-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Thermodynamic signatures in macromolecular interactions involving conformational flexibility. Biol.Chem., 395, 2014
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1C5S
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![BU of 1c5s by Molmil](/molmil-images/mine/1c5s) | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | Descriptor: | BENZO[B]THIOPHENE-2-CARBOXAMIDINE, CALCIUM ION, PROTEIN (TRYPSIN), ... | Authors: | Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. | Deposit date: | 1999-12-22 | Release date: | 2000-12-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem.Biol., 7, 2000
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1C1P
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4Y0Z
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![BU of 4y0z by Molmil](/molmil-images/mine/4y0z) | Trypsin in complex with with BPTI mutant AMINOBUTYRIC ACID | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B. | Deposit date: | 2015-02-06 | Release date: | 2015-06-24 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Fluorine teams up with water to restore inhibitor activity to mutant BPTI. Chem Sci, 6, 2015
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1C5T
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![BU of 1c5t by Molmil](/molmil-images/mine/1c5t) | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | Descriptor: | CALCIUM ION, PROTEIN (TRYPSIN), THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | Authors: | Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. | Deposit date: | 1999-12-22 | Release date: | 2000-12-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem.Biol., 7, 2000
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1C5U
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![BU of 1c5u by Molmil](/molmil-images/mine/1c5u) | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | Descriptor: | CALCIUM ION, MAGNESIUM ION, PROTEIN (TRYPSIN), ... | Authors: | Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. | Deposit date: | 1999-12-22 | Release date: | 2000-12-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem.Biol., 7, 2000
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5LH4
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![BU of 5lh4 by Molmil](/molmil-images/mine/5lh4) | Trypsin inhibitors for the treatment of pancreatitis - cpd 1 | Descriptor: | (2~{S},4~{S})-1-[4-(aminomethyl)phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-(2,2-diphenylethyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiering, N, D'Arcy, A, Skaanderup, P, Simic, O, Brandl, T, Woelcke, J. | Deposit date: | 2016-07-08 | Release date: | 2018-01-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Trypsin inhibitors for the treatment of pancreatitis. Bioorg. Med. Chem. Lett., 26, 2016
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1C1T
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7BS8
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![BU of 7bs8 by Molmil](/molmil-images/mine/7bs8) | Bovine Pancreatic Trypsin with Benzamidine (Cryo) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | Deposit date: | 2020-03-30 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
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1C1R
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4Y10
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![BU of 4y10 by Molmil](/molmil-images/mine/4y10) | Trypsin in complex with with BPTI mutant (2S)-2-amino-4,4-difluorobutanoic acid | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B. | Deposit date: | 2015-02-06 | Release date: | 2015-06-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Fluorine teams up with water to restore inhibitor activity to mutant BPTI. Chem Sci, 6, 2015
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1C1Q
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![BU of 1c1q by Molmil](/molmil-images/mine/1c1q) | |