1O3O
| Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | 分子名称: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE, BETA-TRYPSIN, CALCIUM ION | 著者 | 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. | 登録日 | 2003-03-06 | 公開日 | 2003-09-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | 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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5T3H
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1O3G
| Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | 分子名称: | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION, ... | 著者 | 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. | 登録日 | 2003-03-06 | 公開日 | 2003-09-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | 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
| Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | 分子名称: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE, BETA-TRYPSIN, CALCIUM ION, ... | 著者 | 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. | 登録日 | 2003-03-06 | 公開日 | 2003-09-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | 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
| Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | 分子名称: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE, BETA-TRYPSIN, CALCIUM ION | 著者 | 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. | 登録日 | 2003-03-06 | 公開日 | 2003-09-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | 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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2PTN
| ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY | 分子名称: | CALCIUM ION, TRYPSIN | 著者 | Walter, J, Steigemann, W, Singh, T.P, Bartunik, H, Bode, W, Huber, R. | 登録日 | 1981-10-26 | 公開日 | 1982-03-04 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography Acta Crystallogr.,Sect.B, 38, 1982
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7WB9
| Crystal structure of Bovine Pancreatic Trypsin in complex with 5-Chlorotryptamine at Room Temperature | 分子名称: | 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ... | 著者 | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | 登録日 | 2021-12-15 | 公開日 | 2022-06-15 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | 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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2OTV
| Crystal structure of the complex formed between bovine trypsin and nicotinamide at 1.56 A resolution | 分子名称: | CALCIUM ION, Cationic trypsin, NICOTINAMIDE, ... | 著者 | Sinha, M, Singh, N, Sharma, S, Bhushan, A, Kaur, P, Singh, T.P. | 登録日 | 2007-02-09 | 公開日 | 2007-02-27 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Crystal structure of the complex formed between bovine trypsin and nicotinamide at 1.56 A resolution To be Published
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2PLX
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3GY5
| A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC | 分子名称: | 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ... | 著者 | Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P. | 登録日 | 2009-04-03 | 公開日 | 2010-03-23 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | 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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3GY2
| A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC | 分子名称: | 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ... | 著者 | Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P. | 登録日 | 2009-04-03 | 公開日 | 2010-03-23 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | 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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2FX6
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2FI3
| Crystal structure of a BPTI variant (Cys14->Ser, Cys38->Ser) in complex with trypsin | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | 著者 | Zakharova, E, Horvath, M.P, Goldenberg, D.P. | 登録日 | 2005-12-27 | 公開日 | 2006-01-24 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Functional and structural roles of the Cys14-Cys38 disulfide of bovine pancreatic trypsin inhibitor. J.Mol.Biol., 382, 2008
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2FI5
| Crystal structure of a BPTI variant (Cys38->Ser) in complex with trypsin | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | 著者 | Zakharova, E, Horvath, M.P, Goldenberg, D.P. | 登録日 | 2005-12-27 | 公開日 | 2006-01-24 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Functional and structural roles of the Cys14-Cys38 disulfide of bovine pancreatic trypsin inhibitor. J.Mol.Biol., 382, 2008
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2FI4
| Crystal structure of a BPTI variant (Cys14->Ser) in complex with trypsin | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | 著者 | Zakharova, E, Horvath, M.P, Goldenberg, D.P. | 登録日 | 2005-12-27 | 公開日 | 2006-01-24 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Functional and structural roles of the Cys14-Cys38 disulfide of bovine pancreatic trypsin inhibitor. J.Mol.Biol., 382, 2008
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1O39
| Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | 分子名称: | 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION | 著者 | 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. | 登録日 | 2003-03-06 | 公開日 | 2003-09-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | 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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4AB8
| Fragments bound to bovine trypsin for the SAMPL challenge | 分子名称: | 1,2-ETHANEDIOL, 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine, CALCIUM ION, ... | 著者 | Newman, J, Peat, T.S. | 登録日 | 2011-12-08 | 公開日 | 2012-02-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
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1P2K
| Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin | 分子名称: | CALCIUM ION, Pancreatic trypsin inhibitor, SULFATE ION, ... | 著者 | Helland, R, Czapinska, H, Leiros, I, Olufsen, M, Otlewski, J, Smalaas, A.O. | 登録日 | 2003-04-15 | 公開日 | 2004-04-20 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | 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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3PWC
| Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | 登録日 | 2010-12-08 | 公開日 | 2011-12-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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7BRW
| Bovine Pancreatic Trypsin with 5-chlorotryptamine (Room Temperature) | 分子名称: | 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin | 著者 | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | 登録日 | 2020-03-30 | 公開日 | 2020-08-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | 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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1Y3V
| Trypsin Inhibitor Complex | 分子名称: | (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, ... | 著者 | Fokkens, J, Klebe, G. | 登録日 | 2004-11-26 | 公開日 | 2005-12-06 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | 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
| Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant | 分子名称: | 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, ... | 著者 | Di Fenza, A, Heine, A, Klebe, G. | 登録日 | 2004-12-03 | 公開日 | 2005-12-13 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions Chemmedchem, 2, 2007
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1GI5
| A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | 分子名称: | 2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ... | 著者 | 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. | 登録日 | 2001-01-22 | 公開日 | 2002-01-22 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | 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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