4A6L
 
 | | beta-tryptase inhibitor | | Descriptor: | 1-{3-[1-({5-[(2-fluorophenyl)ethynyl]furan-2-yl}carbonyl)piperidin-4-yl]phenyl}methanamine, TRYPTASE ALPHA/BETA-1 | | Authors: | Mathieu, M, Maignan, S. | | Deposit date: | 2011-11-04 | | Release date: | 2012-01-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure-Based Library Design and the Discovery of a Potent and Selective Mast Cell Beta-Tryptase Inhibitor as an Oral Therapeutic Agent.
Bioorg.Med.Chem.Lett., 22, 2012
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4AYY
 | | Human thrombin - inhibitor complex | | Descriptor: | (R)-1-[(S)-3-[((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-4-methyl-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN-3A', ... | | Authors: | Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K. | | Deposit date: | 2012-06-22 | | Release date: | 2012-08-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors.
J.Med.Chem., 37, 1994
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4DGJ
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2A7H
 | | On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- The Optimal Data Collection Wavelength | | Descriptor: | CALCIUM ION, CHLORIDE ION, Cationic trypsin | | Authors: | Mueller-Dieckmann, C, Panjikar, S, Tucker, P.A, Weiss, M.S. | | Deposit date: | 2005-07-05 | | Release date: | 2005-07-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | On the routine use of soft X-rays in macromolecular crystallography. Part III. The optimal data-collection wavelength.
Acta Crystallogr.,Sect.D, 61, 2005
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3TJU
 | | Crystal structure of human granzyme H with an inhibitor | | Descriptor: | Ac-PTSY-CMK inhibitor, Granzyme H, SULFATE ION | | Authors: | Wang, L, Zhang, K, Wu, L, Tong, L, Sun, F, Fan, Z. | | Deposit date: | 2011-08-25 | | Release date: | 2011-12-28 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural insights into the substrate specificity of human granzyme H: the functional roles of a novel RKR motif
J.Immunol., 188, 2012
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3TK9
 | | Crystal structure of human granzyme H | | Descriptor: | Granzyme H, SULFATE ION | | Authors: | Wang, L, Zhang, K, Wu, L, Tong, L, Sun, F, Fan, Z. | | Deposit date: | 2011-08-25 | | Release date: | 2011-12-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into the substrate specificity of human granzyme H: the functional roles of a novel RKR motif
J.Immunol., 188, 2012
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1YGC
 | | Short Factor VIIa with a small molecule inhibitor | | Descriptor: | (R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE, CALCIUM ION, Coagulation factor VII, ... | | Authors: | Olivero, A.G, Eigenbrot, C, Goldsmith, R, Robarge, K, Artis, D.R, Flygare, J, Rawson, T, Refino, C, Bunting, S, Kirchhofer, D. | | Deposit date: | 2005-01-04 | | Release date: | 2005-01-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A selective, slow binding inhibitor of factor VIIa binds to a nonstandard active site conformation and attenuates thrombus formation in vivo.
J.Biol.Chem., 280, 2005
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2ANY
 | | Expression, Crystallization and the Three-dimensional Structure of the Catalytic Domain of Human Plasma Kallikrein: Implications for Structure-Based Design of Protease Inhibitors | | Descriptor: | BENZAMIDINE, PHOSPHATE ION, plasma kallikrein, ... | | Authors: | Tang, J, Yu, C.L, Williams, S.R, Springman, E, Jeffery, D, Sprengeler, P.A, Estevez, A, Sampang, J, Shrader, W, Spencer, J.R, Young, W.B, McGrath, M.E, Katz, B.A. | | Deposit date: | 2005-08-11 | | Release date: | 2005-10-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Expression, crystallization, and three-dimensional structure of the catalytic domain of human plasma kallikrein.
J.Biol.Chem., 280, 2005
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3TJV
 | | Crystal structure of human granzyme H with a peptidyl substrate | | Descriptor: | Granzyme H, PTSYAGDDSG, SULFATE ION | | Authors: | Wang, L, Zhang, K, Wu, L, Tong, L, Sun, F, Fan, Z. | | Deposit date: | 2011-08-25 | | Release date: | 2011-12-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural insights into the substrate specificity of human granzyme H: the functional roles of a novel RKR motif
J.Immunol., 188, 2012
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2ANW
 | | Expression, crystallization and three-dimensional structure of the catalytic domain of human plasma kallikrein: Implications for structure-based design of protease inhibitors | | Descriptor: | BENZAMIDINE, plasma kallikrein, light chain | | Authors: | Tang, J, Yu, C.L, Williams, S.R, Springman, E, Jeffery, D, Sprengeler, P.A, Estevez, A, Sampang, J, Shrader, W, Spencer, J.R, Young, W.B, McGrath, M.E, Katz, B.A. | | Deposit date: | 2005-08-11 | | Release date: | 2005-10-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Expression, crystallization, and three-dimensional structure of the catalytic domain of human plasma kallikrein.
J.Biol.Chem., 280, 2005
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1YC0
 | | short form HGFA with first Kunitz domain from HAI-1 | | Descriptor: | Hepatocyte growth factor activator, Kunitz-type protease inhibitor 1, PHOSPHATE ION | | Authors: | Shia, S, Stamos, J, Kirchhofer, D, Fan, B, Wu, J, Corpuz, R.T, Santell, L, Lazarus, R.A, Eigenbrot, C. | | Deposit date: | 2004-12-21 | | Release date: | 2005-02-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Conformational lability in serine protease active sites: structures of hepatocyte growth factor activator (HGFA) alone and with the inhibitory domain from HGFA inhibitor-1B.
J.Mol.Biol., 346, 2005
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3WY8
 | | Crystal Structure of Protease Anisep from Arthrobacter Nicotinovorans | | Descriptor: | Serine protease | | Authors: | Sone, T, Haraguchi, Y, Kuwahara, A, Ose, T, Takano, M, Abe, A, Tanaka, M, Tanaka, I, Asano, K. | | Deposit date: | 2014-08-20 | | Release date: | 2015-08-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural characterization reveals the keratinolytic activity of an arthrobacter nicotinovorans protease.
Protein Pept.Lett., 22, 2015
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2SGP
 | | PRO 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 6.5 | | Descriptor: | OVOMUCOID INHIBITOR, PHOSPHATE ION, PROTEINASE B | | Authors: | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-03-25 | | Release date: | 2001-01-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Contribution of peptide bonds to inhibitor-protease binding: crystal structures of the turkey ovomucoid third domain backbone variants OMTKY3-Pro18I and OMTKY3-psi[COO]-Leu18I in complex with Streptomyces griseus proteinase B (SGPB) and the structure of the free inhibitor, OMTKY-3-psi[CH2NH2+]-Asp19I
J.Mol.Biol., 305, 2001
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2THF
 | | STRUCTURE OF HUMAN ALPHA-THROMBIN Y225F MUTANT BOUND TO D-PHE-PRO-ARG-CHLOROMETHYLKETONE | | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, SODIUM ION, THROMBIN HEAVY CHAIN, ... | | Authors: | Caccia, S, Futterer, K, Di Cera, E, Waksman, G. | | Deposit date: | 1999-01-26 | | Release date: | 1999-03-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Unexpected crucial role of residue 225 in serine proteases.
Proc.Natl.Acad.Sci.USA, 96, 1999
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3NPS
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3NXP
 | | Crystal structure of human prethrombin-1 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Chen, Z, Bush-Pelc, L.A, Di Cera, E. | | Deposit date: | 2010-07-14 | | Release date: | 2010-11-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of prethrombin-1.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3R3G
 | | Structure of human thrombin with residues 145-150 of murine thrombin. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Thrombin Heavy Chain, ... | | Authors: | Pozzi, N, Chen, R, Chen, Z, Bah, A, Di Cera, E. | | Deposit date: | 2011-03-15 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Rigidification of the autolysis loop enhances Na(+) binding to thrombin.
Biophys.Chem., 159, 2011
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3SO3
 | | Structures of Fab-Protease Complexes Reveal a Highly Specific Non-Canonical Mechanism of Inhibition. | | Descriptor: | A11 FAB heavy chain, A11 FAB light chain, GLYCEROL, ... | | Authors: | Schneider, E.L, Farady, C.J, Egea, P.F, Goetz, D.H, Baharuddin, A, Craik, C.S. | | Deposit date: | 2011-06-29 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A reverse binding motif that contributes to specific protease inhibition by antibodies.
J.Mol.Biol., 415, 2012
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5DAE
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1Z8G
 | | Crystal structure of the extracellular region of the transmembrane serine protease hepsin with covalently bound preferred substrate. | | Descriptor: | ACE-LYS-GLN-LEU-ARG-Chloromethylketone, Serine protease hepsin | | Authors: | Herter, S, Piper, D.E, Aaron, W, Gabriele, T, Cutler, G, Cao, P, Bhatt, A.S, Choe, Y, Craik, C.S, Walker, N, Meininger, D, Hoey, T, Austin, R.J. | | Deposit date: | 2005-03-30 | | Release date: | 2005-05-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Hepatocyte growth factor is a preferred in vitro substrate for human hepsin, a membrane-anchored serine protease implicated in prostate and ovarian cancers
Biochem.J., 390, 2005
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2WUC
 | | Crystal structure of HGFA in complex with the allosteric non- inhibitory antibody Fab40.deltaTrp and Ac-KQLR-chloromethylketone | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-KQLR-CHLOROMETHYLKETONE INHIBITOR, FAB FRAGMENT FAB40.DELTATRP HEAVY CHAIN, ... | | Authors: | Ganesan, R, Eigenbrot, C, Shia, S. | | Deposit date: | 2009-10-01 | | Release date: | 2009-12-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Unraveling the Allosteric Mechanism of Serine Protease Inhibition by an Antibody
Structure, 17, 2009
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2WUB
 | | Crystal structure of HGFA in complex with the allosteric non- inhibitory antibody Fab40.deltaTrp | | Descriptor: | FAB FRAGMENT FAB40.DELTATRP HEAVY CHAIN, FAB FRAGMENT FAB40.DELTATRP LIGHT CHAIN, HEPATOCYTE GROWTH FACTOR ACTIVATOR LONG CHAIN, ... | | Authors: | Ganesan, R, Eigenbrot, C, Shia, S. | | Deposit date: | 2009-10-01 | | Release date: | 2009-12-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Unraveling the Allosteric Mechanism of Serine Protease Inhibition by an Antibody
Structure, 17, 2009
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2HNT
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1YBW
 | | Protease domain of HGFA with no inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hepatocyte growth factor activator precursor | | Authors: | Shia, S, Stamos, J, Kirchhofer, D, Fan, B, Wu, J, Corpuz, R.T, Santell, L, Lazarus, R.A, Eigenbrot, C. | | Deposit date: | 2004-12-21 | | Release date: | 2005-02-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Conformational lability in serine protease active sites: structures of hepatocyte growth factor activator (HGFA) alone and with the inhibitory domain from HGFA inhibitor-1B.
J.Mol.Biol., 346, 2005
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4BTI
 | | factor Xa in complex with the dual thrombin-FXa inhibitor 58. | | Descriptor: | 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ... | | Authors: | Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M. | | Deposit date: | 2013-06-18 | | Release date: | 2013-12-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor.
J.Med.Chem., 56, 2013
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