PDB: 2569 resultsInfo pagesStatus searchChemie searchBIRD

---

2SGA	ELECTRON DENSITY CALCULATIONS AS AN EXTENSION OF PROTEIN STRUCTURE REFINEMENT. STREPTOMYCES GRISEUS PROTEASE AT 1.5 ANGSTROMS RESOLUTION Descriptor: PROTEINASE A Authors: James, M.N.G, Sielecki, A.R. Deposit date: 1983-01-21 Release date: 1983-04-21 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Electron density calculations as an extension of protein structure refinement. Streptomyces griseus protease A at 1.5 A resolution. J.Mol.Biol., 182, 1985
2ULL	MULTIPLE CONFORMATION STRUCTURE OF ALPHA-LYTIC PROTEASE AT 120 K Descriptor: ALPHA-LYTIC PROTEASE, SULFATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE Authors: Rader, S.D, Agard, D.A. Deposit date: 1996-11-26 Release date: 1997-07-07 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Conformational substates in enzyme mechanism: the 120 K structure of alpha-lytic protease at 1.5 A resolution. Protein Sci., 6, 1997
4K60	Crystal Structure of Human Chymase in Complex with Fragment 6-bromo-1,3-dihydro-2H-indol-2-one Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromo-1,3-dihydro-2H-indol-2-one, Chymase, ... Authors: Collins, B.K, Padyana, A.K. Deposit date: 2013-04-15 Release date: 2013-05-29 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies. J.Med.Chem., 56, 2013
1C5N	STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR Descriptor: 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE, CALCIUM ION, Hirudin, ... 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: 2023-11-15 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem.Biol., 7, 2000
5PAF	Crystal Structure of Factor VIIa in complex with N-(2-amino-1H-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]-5-chlorophenyl]acetamide;2,2,2-trifluoroacetic acid Descriptor: CALCIUM ION, CHLORIDE ION, Coagulation factor VII heavy chain, ... Authors: Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G. Deposit date: 2016-11-10 Release date: 2017-06-21 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Crystal Structure of a Factor VIIa complex To be published
5PAC	human factor VIIa in complex with 5-hydroxy-N-(4-oxo-3H-quinazolin-6-yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide at 1.50A Descriptor: 5-hydroxy-N-(4-oxo-3H-quinazolin-6-yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide, CALCIUM ION, CHLORIDE ION, ... Authors: Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G. Deposit date: 2016-11-10 Release date: 2017-06-21 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Crystal Structure of a Factor VIIa complex To be published
2BTC	BOVINE TRYPSIN IN COMPLEX WITH SQUASH SEED INHIBITOR (CUCURBITA PEPO TRYPSIN INHIBITOR II) Descriptor: CALCIUM ION, PROTEIN (TRYPSIN INHIBITOR), PROTEIN (TRYPSIN) Authors: Helland, R, Berglund, G.I, Otlewski, J, Apostoluk, W, Andersen, O.A, Willassen, N.P, Smalas, A.O. Deposit date: 1998-12-11 Release date: 2000-01-19 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (1.5 Å) Cite: High-resolution structures of three new trypsin-squash-inhibitor complexes: a detailed comparison with other trypsins and their complexes. Acta Crystallogr.,Sect.D, 55, 1999
1XUI	TRYPSIN-KETO-BABIM, ZN+2-FREE, PH 8.2 Descriptor: BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE, CALCIUM ION, SODIUM ION, ... Authors: Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M. Deposit date: 1997-10-10 Release date: 1998-11-11 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
1XUG	TRYPSIN-BABIM-ZN+2, PH 8.2 Descriptor: BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE, CALCIUM ION, TRYPSIN, ... Authors: Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M. Deposit date: 1997-10-10 Release date: 1998-12-16 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
7QHZ	Crystal structure of KLK6 in complex with compound DKFZ917 Descriptor: (5~{R})-3-(4-carbamimidoylphenyl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide, GLYCEROL, Kallikrein-6 Authors: Jagtap, P.K.A, Baumann, A, Lohbeck, J, Isak, D, Miller, A, Hennig, J. Deposit date: 2021-12-14 Release date: 2022-11-23 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Scalable synthesis and structural characterization of reversible KLK6 inhibitors. Rsc Adv, 12, 2022
1O34	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}PYRIDIN-3-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 (1.5 Å) Cite: Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors. J.Mol.Biol., 329, 2003
1O2Q	Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors Descriptor: 2-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-INDOL-2-YL}-6-(CYCLOPENTYLOXY)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 (1.5 Å) Cite: Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors. J.Mol.Biol., 329, 2003
1GJ7	ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS Descriptor: 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR Authors: Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. Deposit date: 2001-04-27 Release date: 2002-04-27 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
1GJ6	ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS Descriptor: 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION Authors: Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. Deposit date: 2001-04-27 Release date: 2002-04-27 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
1GGD	CRYSTAL STRUCTURE OF GAMMA CHYMOTRYPSIN WITH N-ACETYL-LEUCIL-PHENYLALANINE ALDEHYDE BOUND AT THE ACTIVE SITE Descriptor: 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-FORMYL-2-PHENYL-ETHYL)-AMIDE, GAMMA CHYMOTRYPSIN, SULFATE ION Authors: Neidhart, D, Wei, Y, Cassidy, C, Lin, J, Cleland, W.W, Frey, P.A. Deposit date: 2000-08-14 Release date: 2000-09-20 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Correlation of low-barrier hydrogen bonding and oxyanion binding in transition state analogue complexes of chymotrypsin. Biochemistry, 40, 2000
3NPS	Crystal structure of membrane-type serine protease 1 (MT-SP1) in complex with the Fab Inhibitor S4 Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, S4 FAB HEAVY CHAIN, ... Authors: Baharuddin, A. Deposit date: 2010-06-29 Release date: 2011-07-06 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.5 Å) Cite: A reverse binding motif that contributes to specific protease inhibition by antibodies. J.Mol.Biol., 415, 2012
3D49	Thrombin Inhibition Descriptor: BENZAMIDINE, Hirudin variant-1, SODIUM ION, ... Authors: Baum, B, Heine, A, Klebe, G. Deposit date: 2008-05-14 Release date: 2009-04-14 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Understanding Thrombin Inhibition To be Published
1H9H	COMPLEX OF EETI-II WITH PORCINE TRYPSIN Descriptor: CALCIUM ION, TRYPSIN, TRYPSIN INHIBITOR II Authors: Kraetzner, R, Wentzel, A, Kolmar, H, Uson, I. Deposit date: 2001-03-12 Release date: 2004-07-26 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structure of Ecballium Elaterium Trypsin Inhibitor II (Eeti-II): A Rigid Molecular Scaffold Acta Crystallogr.,Sect.D, 61, 2005
4K69	Crystal Structure of Human Chymase in Complex with Fragment Linked Benzimidazolone Inhibitor: (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid Descriptor: (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase, ... Authors: Collins, B.K, Padyana, A.K. Deposit date: 2013-04-15 Release date: 2013-05-29 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies. J.Med.Chem., 56, 2013
2P8O	Crystal Structure of a Benzohydroxamic Acid/Vanadate complex bound to chymotrypsin A Descriptor: Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ... Authors: Moulin, A, Bell, J.H, Pratt, R.F, Ringe, D. Deposit date: 2007-03-22 Release date: 2007-05-08 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Inhibition of chymotrypsin by a complex of ortho-vanadate and benzohydroxamic Acid: structure of the inert complex and its mechanistic interpretation. Biochemistry, 46, 2007
5LPD	Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(2-(aminomethyl)-5-chlorobenzyl) pyrrolidine-2-carboxamide Descriptor: (2~{S})-~{N}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... Authors: Sandner, A, Heine, A, Klebe, G. Deposit date: 2016-08-12 Release date: 2017-07-26 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding. J.Med.Chem., 62, 2019
1O2V	Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors Descriptor: 2-(3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)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 (1.5 Å) Cite: Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors. J.Mol.Biol., 329, 2003
7BS1	Bovine Pancreatic Trypsin with benzamidine (Room Temperature) 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 (1.5 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
1O2I	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}-6-(CYCLOPENTYLOXY)BENZENOLATE, BETA-TRYPSIN, CALCIUM ION, ... Authors: Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, W.F, Hui, H, Breitenbucher, G, Allen, D, Janc, J. Deposit date: 2003-03-06 Release date: 2003-05-13 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors J.Mol.Biol., 329, 2003
1O2N	Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors Descriptor: 3-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-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, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, W.F, Hui, H, Breitenbucher, G, Allen, D, Janc, J. Deposit date: 2003-03-06 Release date: 2003-05-13 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors J.Mol.Biol., 329, 2003

<12131415161718192021222324252627>