1O30
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![BU of 1o30 by Molmil](/molmil-images/mine/1o30) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-FLUORO-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE, 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 (1.55 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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1O3O
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![BU of 1o3o by Molmil](/molmil-images/mine/1o3o) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE, 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 (1.55 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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1O3F
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![BU of 1o3f by Molmil](/molmil-images/mine/1o3f) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-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 (1.55 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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1O3G
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![BU of 1o3g by Molmil](/molmil-images/mine/1o3g) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-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 (1.55 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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1O3M
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![BU of 1o3m by Molmil](/molmil-images/mine/1o3m) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE, 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 (1.55 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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1O3N
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![BU of 1o3n by Molmil](/molmil-images/mine/1o3n) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE, 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 (1.55 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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2OTV
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![BU of 2otv by Molmil](/molmil-images/mine/2otv) | Crystal structure of the complex formed between bovine trypsin and nicotinamide at 1.56 A resolution | Descriptor: | CALCIUM ION, Cationic trypsin, NICOTINAMIDE, ... | Authors: | Sinha, M, Singh, N, Sharma, S, Bhushan, A, Kaur, P, Singh, T.P. | Deposit date: | 2007-02-09 | Release date: | 2007-02-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Crystal structure of the complex formed between bovine trypsin and nicotinamide at 1.56 A resolution To be Published
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7WB9
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![BU of 7wb9 by Molmil](/molmil-images/mine/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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8UTL
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![BU of 8utl by Molmil](/molmil-images/mine/8utl) | |
2PLX
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![BU of 2plx by Molmil](/molmil-images/mine/2plx) | |
3GY5
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![BU of 3gy5 by Molmil](/molmil-images/mine/3gy5) | A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC | Descriptor: | 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ... | Authors: | Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P. | Deposit date: | 2009-04-03 | Release date: | 2010-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model. Int.J.Biol.Macromol., 46, 2010
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3GY2
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![BU of 3gy2 by Molmil](/molmil-images/mine/3gy2) | A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC | Descriptor: | 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ... | Authors: | Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P. | Deposit date: | 2009-04-03 | Release date: | 2010-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model. Int.J.Biol.Macromol., 46, 2010
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9BKG
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![BU of 9bkg by Molmil](/molmil-images/mine/9bkg) | |
2FX6
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![BU of 2fx6 by Molmil](/molmil-images/mine/2fx6) | bovine trypsin complexed with 2-aminobenzamidazole | Descriptor: | 2H-BENZOIMIDAZOL-2-YLAMINE, CALCIUM ION, Trypsin | Authors: | Katz, B.A. | Deposit date: | 2006-02-03 | Release date: | 2006-02-14 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structure-guided design of Peptide-based tryptase inhibitors. Biochemistry, 45, 2006
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2FI5
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![BU of 2fi5 by Molmil](/molmil-images/mine/2fi5) | Crystal structure of a BPTI variant (Cys38->Ser) in complex with trypsin | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | Authors: | Zakharova, E, Horvath, M.P, Goldenberg, D.P. | Deposit date: | 2005-12-27 | Release date: | 2006-01-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Functional and structural roles of the Cys14-Cys38 disulfide of bovine pancreatic trypsin inhibitor. J.Mol.Biol., 382, 2008
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2FI3
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![BU of 2fi3 by Molmil](/molmil-images/mine/2fi3) | Crystal structure of a BPTI variant (Cys14->Ser, Cys38->Ser) in complex with trypsin | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | Authors: | Zakharova, E, Horvath, M.P, Goldenberg, D.P. | Deposit date: | 2005-12-27 | Release date: | 2006-01-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Functional and structural roles of the Cys14-Cys38 disulfide of bovine pancreatic trypsin inhibitor. J.Mol.Biol., 382, 2008
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2FI4
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![BU of 2fi4 by Molmil](/molmil-images/mine/2fi4) | Crystal structure of a BPTI variant (Cys14->Ser) in complex with trypsin | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | Authors: | Zakharova, E, Horvath, M.P, Goldenberg, D.P. | Deposit date: | 2005-12-27 | Release date: | 2006-01-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Functional and structural roles of the Cys14-Cys38 disulfide of bovine pancreatic trypsin inhibitor. J.Mol.Biol., 382, 2008
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1O39
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![BU of 1o39 by Molmil](/molmil-images/mine/1o39) | 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 (1.59 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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1Y3V
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![BU of 1y3v by Molmil](/molmil-images/mine/1y3v) | Trypsin Inhibitor Complex | Descriptor: | (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YL-1-CYCLOPROPYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE, CALCIUM ION, Trypsin, ... | Authors: | Fokkens, J, Klebe, G. | Deposit date: | 2004-11-26 | Release date: | 2005-12-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A simple protocol to estimate differences in protein binding affinity for enantiomers without prior resolution of racemates. Angew.Chem.Int.Ed.Engl., 45, 2006
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1Y5U
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![BU of 1y5u by Molmil](/molmil-images/mine/1y5u) | Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant | Descriptor: | 2-O-{3-[AMINO(IMINO)METHYL]PHENYL}-5-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Di Fenza, A, Heine, A, Klebe, G. | Deposit date: | 2004-12-03 | Release date: | 2005-12-13 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions Chemmedchem, 2, 2007
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3RXK
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![BU of 3rxk by Molmil](/molmil-images/mine/3rxk) | Crystal structure of Trypsin complexed with methyl 4-amino-1-methyl-pyrrolidine-2-carboxylate | Descriptor: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | Deposit date: | 2011-05-10 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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4AB8
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![BU of 4ab8 by Molmil](/molmil-images/mine/4ab8) | Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
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3PWC
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![BU of 3pwc by Molmil](/molmil-images/mine/3pwc) | Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2010-12-08 | Release date: | 2011-12-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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7BRW
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![BU of 7brw by Molmil](/molmil-images/mine/7brw) | Bovine Pancreatic Trypsin with 5-chlorotryptamine (Room Temperature) | Descriptor: | 2-(5-chloranyl-1~{H}-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 (1.6 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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1GI5
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![BU of 1gi5 by Molmil](/molmil-images/mine/1gi5) | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | Descriptor: | 2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | Deposit date: | 2001-01-22 | Release date: | 2002-01-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site. J.Mol.Biol., 307, 2001
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