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4Q7X	Neutrophil serine protease 4 (PRSS57) apo form 1 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Serine protease 57, ... Authors: Eigenbrot, C, Lin, S.J, Dong, K.C. Deposit date: 2014-04-25 Release date: 2014-09-03 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Structures of neutrophil serine protease 4 reveal an unusual mechanism of substrate recognition by a trypsin-fold protease. Structure, 22, 2014
4R0I	CRYSTAL STRUCTURE of MATRIPTASE in COMPLEX WITH INHIBITOR Descriptor: 3-({(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}oxy)benzenecarboximidamide, SERINE PROTEASE, MATRIPTASE, ... Authors: Rao, K.N, Ashok, K.N, Chakshusmathi, G, Rajeev, G, Subramanya, H. Deposit date: 2014-07-31 Release date: 2015-02-11 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Discovery of O-(3-carbamimidoylphenyl)-l-serine amides as matriptase inhibitors using a fragment-linking approach Bioorg.Med.Chem.Lett., 25, 2015
4XSK	Structure of PAItrap, an uPA mutant Descriptor: GLYCEROL, SULFATE ION, TRIETHYLENE GLYCOL, ... Authors: Gong, L, Proulle, V, Hong, Z, Lin, Z, Liu, M, Yuan, C, Lin, L, Furie, B, Flaumenhaft, R, Andreasen, P, Furie, B, Huang, M. Deposit date: 2015-01-22 Release date: 2016-02-03 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structure of PAItrap, an uPA mutant To Be Published
4Y8X	Factor XIa in complex with the inhibitor methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa, SULFATE ION, ... Authors: Sheriff, S. Deposit date: 2015-02-16 Release date: 2015-05-27 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety. ACS Med Chem Lett, 6, 2015
4Y8Z	Factor XIa in complex with the inhibitor (2E)-N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide Descriptor: (2E)-N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide, 1,2-ETHANEDIOL, Coagulation factor XIa, ... Authors: Sheriff, S. Deposit date: 2015-02-16 Release date: 2015-05-27 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety. ACS Med Chem Lett, 6, 2015
4Y8Y	Factor XIa in complex with the inhibitor methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-(morpholin-4-yl)-3-oxopropyl]-1H-imidazol-5-yl}phenyl)carbamate Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa, SULFATE ION, ... Authors: Wei, A. Deposit date: 2015-02-16 Release date: 2015-05-27 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety. ACS Med Chem Lett, 6, 2015
4YM9	Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the novel inhibitor JM102 Descriptor: 2-ethyl-2-(hydroxymethyl)-N-(6-methylpyridin-3-yl)butanamide, ACETATE ION, Chymotrypsin-like elastase family member 1, ... Authors: Hofbauer, S, Brito, J.A, Mulchande, J, Nogly, P, Pessanha, M, Moreira, R, Archer, M. Deposit date: 2015-03-06 Release date: 2016-06-29 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Clickable 4-Oxo-beta-lactam-Based Selective Probing for Human Neutrophil Elastase Related Proteomes. ChemMedChem, 11, 2016
4YTA	BOND LENGTH ANALYSIS OF ASP, GLU AND HIS RESIDUES IN TRYPSIN AT 1.2A RESOLUTION Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... Authors: Fisher, S.J, Helliwell, J.R, Blakeley, M.P, Cianci, M, McSweeny, S. Deposit date: 2015-03-17 Release date: 2015-05-27 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Protonation-state determination in proteins using high-resolution X-ray crystallography: effects of resolution and completeness. Acta Crystallogr. D Biol. Crystallogr., 68, 2012
4ZHM	The crystal structure of mupain-1--16-IG in complex with murinised human uPA at pH7.4 Descriptor: Urokinase-type plasminogen activator, mupain-1-16-IG, piperidine-1-carboximidamide Authors: Jiang, L, Andreasen, P.A, Huang, M. Deposit date: 2015-04-25 Release date: 2015-09-16 Last modified: 2015-10-14 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Selection of High-Affinity Peptidic Serine Protease Inhibitors with Increased Binding Entropy from a Back-Flip Library of Peptide-Protease Fusions. J.Mol.Biol., 427, 2015
4ZKO	The crystal structure of upain-1-W3A in complex with uPA at pH7.4 Descriptor: C-terminal fragment of upain-1-W3A, HEXAETHYLENE GLYCOL, N-terminal fragment of upain-1-W3A, ... Authors: Jiang, L, Andreasen, P.A, Huang, M. Deposit date: 2015-04-30 Release date: 2016-05-18 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.29 Å) Cite: The crystal structure of mupain-1-IG in complex with murinised human uPA at pH7.4 To Be Published
4ZKS	The crystal structure of upain-1-W3A in complex with inactive uPA (uPA-S195A) at pH7.4 Descriptor: Urokinase-type plasminogen activator, upain-1-W3A Authors: Jiang, L, Andreasen, P.A, Huang, M. Deposit date: 2015-04-30 Release date: 2016-05-18 Method: X-RAY DIFFRACTION (1.85 Å) Cite: The crystal structure of mupain-1-IG in complex with murinised human uPA at pH7.4 To Be Published
4ZKR	The crystal structure of upain-1-W3A in complex with uPA at pH9.0 Descriptor: HEXAETHYLENE GLYCOL, SULFATE ION, Urokinase-type plasminogen activator, ... Authors: Jiang, L, Andreasen, P.A, Huang, M. Deposit date: 2015-04-30 Release date: 2016-05-18 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.36 Å) Cite: The crystal structure of mupain-1-IG in complex with murinised human uPA at pH7.4 To Be Published
4ZKN	The crystal structure of upain-1-W3A in complex with uPA at pH5.5 Descriptor: SULFATE ION, TETRAETHYLENE GLYCOL, Urokinase-type plasminogen activator, ... Authors: Jiang, L, Andreasen, P.A, Huang, M. Deposit date: 2015-04-30 Release date: 2016-05-18 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.36 Å) Cite: The crystal structure of mupain-1-IG in complex with murinised human uPA at pH7.4 To Be Published
4ZHL	The crystal structure of mupain-1-IG in complex with murinised human uPA at pH7.4 Descriptor: Urokinase-type plasminogen activator, mupain-1-IG Authors: Jiang, L, Andreasen, P.A, Huang, M. Deposit date: 2015-04-25 Release date: 2015-09-16 Last modified: 2015-10-14 Method: X-RAY DIFFRACTION (2.06 Å) Cite: Selection of High-Affinity Peptidic Serine Protease Inhibitors with Increased Binding Entropy from a Back-Flip Library of Peptide-Protease Fusions. J.Mol.Biol., 427, 2015
5A8Y	Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, MALONATE ION, ... Authors: vonNussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. Deposit date: 2015-07-17 Release date: 2016-08-03 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: In Vivo Efficacy of the Polar Pyrimidopyridazine Bay-8040 in a Pulmonary Arterial Hypertension Rat Model. Chemmedchem, 11, 2016
5A8X	Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neutrophil elastase, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: vonNussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. Deposit date: 2015-07-17 Release date: 2016-08-03 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model. ChemMedChem, 11, 2016
5A0C	Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor Descriptor: (6S)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. Deposit date: 2015-04-17 Release date: 2015-08-19 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
5A0A	Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-[(6R)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile, ... Authors: vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. Deposit date: 2015-04-17 Release date: 2015-08-19 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
5A09	Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor Descriptor: 2-[(4R)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, NEUTROPHIL ELASTASE, ... Authors: vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. Deposit date: 2015-04-17 Release date: 2015-08-19 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.81 Å) Cite: Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
5ABW	Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases Descriptor: 1-(3-CHLOROPHENYL)-5-(3,5-DIMETHYLISOXAZOL-4-YL)-6-METHYL-N-[4-(METHYLSULFONYL)BENZYL]-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... Authors: von Nussbaum, F, Li, V.M, Schaefer, M. Deposit date: 2015-08-10 Release date: 2015-08-19 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases: Into clinical testing with pre-adaptive pharmacophores. Bioorg. Med. Chem. Lett., 25, 2015
5A0B	Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor Descriptor: (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... Authors: vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. Deposit date: 2015-04-17 Release date: 2015-08-19 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
5A8Z	Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(4R)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile, Neutrophil elastase, ... Authors: von Nussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. Deposit date: 2015-07-17 Release date: 2016-08-03 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2 Å) Cite: Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model. ChemMedChem, 11, 2016
5AVD	The 0.86 angstrom structure of elastase crystallized in high-strength agarose hydrogel Descriptor: Chymotrypsin-like elastase family member 1, SULFATE ION Authors: Sugiyama, S, Shimizu, N, Maruyama, M, Sazaki, G, Adachi, H, Takano, K, Murakami, S, Inoue, T, Mori, Y, Matsumura, H. Deposit date: 2015-06-15 Release date: 2015-07-08 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (0.86 Å) Cite: Growth of protein crystals in hydrogels prevents osmotic shock J.Am.Chem.Soc., 134, 2012
5CHA	THE REFINEMENT AND THE STRUCTURE OF THE DIMER OF ALPHA-*CHYMOTRYPSIN AT 1.67-*ANGSTROMS RESOLUTION Descriptor: ALPHA-CHYMOTRYPSIN A Authors: Blevins, R.A, Tulinsky, A. Deposit date: 1985-01-22 Release date: 1985-04-01 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.67 Å) Cite: The refinement and the structure of the dimer of alpha-chymotrypsin at 1.67-A resolution. J.Biol.Chem., 260, 1985
6YIY	Trypsin inhibitor in complex with bovine trypsin Descriptor: 1H-isoindol-3-amine, CALCIUM ION, Cationic trypsin, ... Authors: Badran, M.J, Heine, A, Klebe, G. Deposit date: 2020-04-01 Release date: 2020-12-02 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.11 Å) Cite: Trypsin inhibitor in complex with bovine trypsin To Be Published

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