1C2L
 
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1BTY
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6XYK
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6XYG
 | | Femtosecond structure of bovine trypsin at room temperature | | 分子名称: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | 著者 | Jensen, M. | | 登録日 | 2020-01-30 | | 公開日 | 2021-02-10 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.50000238 Å) | | 主引用文献 | High-resolution macromolecular crystallography at the FemtoMAX beamline with time-over-threshold photon detection
J.Synchrotron Radiat., 2021
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5MO0
 | | Neutron structure of cationic trypsin in complex with benzamidine | | 分子名称: | BENZAMIDINE, CALCIUM ION, Cationic trypsin | | 著者 | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | 登録日 | 2016-12-13 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-10-23 | | 実験手法 | NEUTRON DIFFRACTION (1.502 Å) | | 主引用文献 | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
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1O3I
 | | 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-INDOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE, 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 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.51 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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6T0M
 | | Cationic Trypsin in Complex with a D-Phe-Pro-diaminopyridine derivative | | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[[2,6-bis(azanyl)pyridin-4-yl]methyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | | 著者 | Ngo, K, Heine, A, Klebe, G. | | 登録日 | 2019-10-03 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?
J.Med.Chem., 63, 2020
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2ZFS
 | | Exploring trypsin S3 pocket | | 分子名称: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | | 著者 | Brandt, T, Baum, B, Heine, A, Klebe, G. | | 登録日 | 2008-01-10 | | 公開日 | 2009-01-13 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties
J.Mol.Biol., 405, 2011
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2G5N
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7WA2
 | | Crystal structure of Bovine Pancreatic Trypsin in complex with 4-Methoxybenzamidine at Room Temperature | | 分子名称: | 4-methoxybenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ... | | 著者 | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | | 登録日 | 2021-12-11 | | 公開日 | 2022-06-15 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.52 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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4ABG
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1O3H
 | | 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-INDOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE, 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 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.53 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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3PM3
 | | Bovine trypsin variant X(tripleIle227) 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 | 2010-11-16 | | 公開日 | 2011-12-07 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.53 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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3PLK
 | | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | 著者 | Tziridis, A, Neumann, P, Braeuer, U, Kolenko, P, Stubbs, M.T. | | 登録日 | 2010-11-15 | | 公開日 | 2011-12-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.53 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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3UPE
 | | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | | 分子名称: | 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1H-indole-4-carboxylic acid, CALCIUM ION, Cationic trypsin, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2011-11-18 | | 公開日 | 2012-11-21 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.54 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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5LH8
 | | Trypsin inhibitors for the treatment of pancreatitis - cpd 8 | | 分子名称: | (2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-[(1~{S},2~{R})-2-phenylcyclohexyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | | 著者 | Schiering, N, D'Arcy, A, Skaanderup, P, Simic, O, Brandl, T, Woelcke, J. | | 登録日 | 2016-07-08 | | 公開日 | 2016-08-10 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Trypsin inhibitors for the treatment of pancreatitis.
Bioorg.Med.Chem.Lett., 26, 2016
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7BRV
 | | Bovine Pancreatic Trypsin with 4-Bromobenzamidine (Room Temperature) | | 分子名称: | 4-bromanylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ... | | 著者 | Takeda, R, Ito, S, Maeki, M, 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 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.55 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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3ITI
 | | Structure of bovine trypsin with the MAD triangle B3C | | 分子名称: | 5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid, BENZAMIDINE, CALCIUM ION, ... | | 著者 | Beck, T, da Cunha, C.E, Sheldrick, G.M. | | 登録日 | 2009-08-28 | | 公開日 | 2009-10-27 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | How to get the magic triangle and the MAD triangle into your protein crystal.
Acta Crystallogr.,Sect.F, 65, 2009
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3LJJ
 | | Bovine trypsin in complex with UB-THR 10 | | 分子名称: | (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | | 著者 | Wegscheid-Gerlach, C, Heine, A, Klebe, G. | | 登録日 | 2010-01-26 | | 公開日 | 2010-10-06 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties.
J.Mol.Biol., 405, 2011
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1O3F
 | | 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 | 2024-11-06 | | 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 | 2024-11-13 | | 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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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 | 2024-10-16 | | 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 | 2024-10-16 | | 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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1O30
 | | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | | 分子名称: | 2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-FLUORO-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE, 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 | 2024-11-13 | | 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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