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3KGP	Crystal Structures of Urokinase-type Plasminogen Activator in Complex with 4-(Aminomethyl) Benzoic Acid and 4-(Aminomethyl-phenyl)-methanol Descriptor: 4-(aminomethyl)benzoic acid, SULFATE ION, Urokinase-type plasminogen activator Authors: Jiang, L.-G, Zhao, G.-X, Bian, X.-B, Yuan, C, Huang, Z.-X, Huang, M.-D. Deposit date: 2009-10-29 Release date: 2009-12-01 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Crystal Structures of Urokinase-type Plasminogen Activator in Complex with 4-(Aminomethyl) Benzoic Acid and 4-(Aminomethyl-phenyl)-methanol CHIN.J.STRUCT.CHEM., 28, 2009
8GMN	Crystal structure of human C1s in complex with inhibitor Descriptor: Complement C1s subcomponent, SULFATE ION, [4-(1-aminophthalazin-6-yl)piperazin-1-yl](2-methylphenyl)methanone Authors: Dougan, D.R, Lane, W. Deposit date: 2023-03-26 Release date: 2023-05-17 Last modified: 2023-05-24 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Discovery of a Novel Series of Potent, Selective, Orally Available, and Brain-Penetrable C1s Inhibitors for Modulation of the Complement Pathway. J.Med.Chem., 66, 2023
8GMQ	Chicken CALHM1 purified from mammalian cells Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Calcium homeostasis modulator 1 Authors: Syrjanen, J.L, Furukawa, H. Deposit date: 2023-03-27 Release date: 2023-07-26 Last modified: 2024-05-01 Method: ELECTRON MICROSCOPY (3.36 Å) Cite: Structure of human CALHM1 reveals key locations for channel regulation and blockade by ruthenium red. Nat Commun, 14, 2023
3LPR	STRUCTURAL BASIS FOR BROAD SPECIFICITY IN ALPHA-LYTIC PROTEASE MUTANTS Descriptor: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-NORLEUCINE BORONIC ACID INHIBITOR, SULFATE ION Authors: Bone, R, Agard, D.A. Deposit date: 1991-08-05 Release date: 1993-01-15 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Structural basis for broad specificity in alpha-lytic protease mutants. Biochemistry, 30, 1991
3MHW	The complex crystal Structure of Urokianse and 2-Aminobenzothiazole Descriptor: 1,3-benzothiazol-2-amine, SULFATE ION, Urokinase-type plasminogen activator Authors: Jiang, L.-G, Yuan, C, Chen, L.-Q, Huang, M.-D. Deposit date: 2010-04-09 Release date: 2010-04-21 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Crystal Structures of 2-Aminobenzothiazole-based Inhibitors in Complexes with Urokinase-type Plasminogen Activator CHIN.J.STRUCT.CHEM., 28, 2009
3S9A	Russell's viper venom serine proteinase, RVV-V (closed-form) Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Vipera russelli proteinase RVV-V gamma Authors: Nakayama, D, Ben Ammar, Y, Takeda, S. Deposit date: 2011-06-01 Release date: 2011-09-07 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural basis of coagulation factor V recognition for cleavage by RVV-V Febs Lett., 585, 2011
6I44	Allosteric activation of human prekallikrein by apple domain disc rotation Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... Authors: Li, C, Pathak, M, MaCrae, K, Dreveny, I, Emsley, J. Deposit date: 2018-11-09 Release date: 2019-03-06 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.36 Å) Cite: Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI. J.Thromb.Haemost., 17, 2019
1YPE	Thrombin Inhibitor Complex Descriptor: (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ETHYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE, GLYCEROL, Hirudin, ... Authors: Fokkens, J, Obst-Sander, U, Heine, A, Diederich, F, Klebe, G. Deposit date: 2005-01-31 Release date: 2006-01-17 Last modified: 2017-10-11 Method: X-RAY DIFFRACTION (1.81 Å) Cite: A simple protocol to estimate differences in protein binding affinity for enantiomers without prior resolution of racemates Angew.Chem.Int.Ed.Engl., 45, 2006
1YPG	Thrombin Inhibitor Complex Descriptor: (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, Hirudin, Thrombin heavy chain, ... Authors: Fokkens, J, Obst-Sander, U, Heine, A, Diederich, F, Klebe, G. Deposit date: 2005-01-31 Release date: 2006-01-17 Last modified: 2017-10-11 Method: X-RAY DIFFRACTION (1.8 Å) Cite: A simple protocol to estimate differences in protein binding affinity for enantiomers without prior resolution of racemates Angew.Chem.Int.Ed.Engl., 45, 2006
4XE4	Coagulation Factor XII protease domain crystal structure Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XII, GLYCEROL Authors: Pathak, M, Wilmann, P, Awford, J, Li, C, Fisher, P.M, Dreveny, I, Dekker, L.V, Emsley, J. Deposit date: 2014-12-22 Release date: 2015-02-04 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Coagulation factor XII protease domain crystal structure. J.Thromb.Haemost., 13, 2015
4XDE	Coagulation Factor XII protease domain crystal structure Descriptor: CITRATE ANION, Coagulation factor XII, ISOPROPYL ALCOHOL Authors: Pathak, M, Wilmann, P, Awford, J, Li, C, Fisher, P.M, Dreveny, I, Dekker, L.V, Emsley, J. Deposit date: 2014-12-19 Release date: 2015-02-04 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.14 Å) Cite: Coagulation factor XII protease domain crystal structure. J.Thromb.Haemost., 13, 2015
2QA9	Crystal structure of the second tetrahedral intermediates of SGPB at pH 4.2 Descriptor: 1,2-ETHANEDIOL, 4-mer peptide DAIY, CHLORIDE ION, ... Authors: Lee, T.W, James, M.N.G. Deposit date: 2007-06-14 Release date: 2007-12-11 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.18 Å) Cite: 1.2A-resolution crystal structures reveal the second tetrahedral intermediates of streptogrisin B (SGPB). Biochim.Biophys.Acta, 1784, 2008
3P70	Structural basis of thrombin-mediated factor V activation: essential role of the hirudin-like sequence Glu666-Glu672 for processing at the heavy chain-B domain junction Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, ... Authors: Corral-Rodriguez, M.A, Bock, P.E, Hernandez-Carvajal, E, Gutierrez-Gallego, R, Fuentes-Prior, P. Deposit date: 2010-10-11 Release date: 2011-09-28 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Structural basis of thrombin-mediated factor V activation: the Glu666-Glu672 sequence is critical for processing at the heavy chain-B domain junction. Blood, 117, 2011
3P6Z	Structural basis of thrombin mediated factor V activation: essential role of the hirudin-like sequence Glu666-Glu672 for processing at the heavy chain-B domain junction Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... Authors: Corral-Rodriguez, M.A, Bock, P.E, Hernandez-Carvajal, E, Gutierrez-Gallego, R, Fuentes-Prior, P. Deposit date: 2010-10-11 Release date: 2011-06-15 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structural basis of thrombin-mediated factor V activation: the Glu666-Glu672 sequence is critical for processing at the heavy chain-B domain junction. Blood, 117, 2011
4YT6	Factor VIIa in complex with the inhibitor 4-{[(R)-[5-ethoxy-2-fluoro-3-(propan-2-yloxy)phenyl](4-phenyl-1H-imidazol-2-yl)methyl]amino}benzenecarboximidamide Descriptor: 4-[[(R)-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)-(4-phenyl-1H-imidazol-2-yl)methyl]amino]benzenecarboximidamide, CALCIUM ION, Coagulation factor VII (heavy chain), ... Authors: Wei, A. Deposit date: 2015-03-17 Release date: 2015-04-29 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.07 Å) Cite: Design and synthesis of potent, selective phenylimidazole-based FVIIa inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4YT7	Factor VIIa in complex with the inhibitor 2-(2-{(R)-[(4-carbamimidoylphenyl)amino][5-ethoxy-2-fluoro-3-(propan-2-yloxy)phenyl]methyl}-1H-imidazol-4-yl)benzamide Descriptor: 2-[2-[(R)-[(4-carbamimidoylphenyl)amino]-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)methyl]-1H-imidazol-4-yl]benzamide, CALCIUM ION, Coagulation factor VII (heavy chain), ... Authors: Wei, A. Deposit date: 2015-03-17 Release date: 2015-04-29 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Design and synthesis of potent, selective phenylimidazole-based FVIIa inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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
4Z0K	Rapid development of two Factor IXa inhibitors from Hit to Lead Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Coagulation factor IX, ... Authors: Hruza, A, Reichert, P. Deposit date: 2015-03-26 Release date: 2015-05-20 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.41 Å) Cite: Rapid development of two factor IXa inhibitors from hit to lead. Bioorg.Med.Chem.Lett., 25, 2015
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
4ZHA	Factor Xa complex with GTC000102 Descriptor: 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]-3-fluoro-N-methylbenzamide, CALCIUM ION, Coagulation factor X, ... Authors: Convery, M.A. Deposit date: 2015-04-24 Release date: 2016-01-13 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Factor Xa complex with GTC000102 To Be Published
4ZXX	FACTOR VIIA IN COMPLEX WITH THE INHIBITOR N-{3-[(2R)-1-{(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-phenylacetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}acetamide Descriptor: CALCIUM ION, Coagulation factor VIIa heavy chain, Coagulation factor VIIa light chain, ... Authors: Wei, A. Deposit date: 2015-05-20 Release date: 2015-07-22 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structure-Based Design of Macrocyclic Coagulation Factor VIIa Inhibitors. J.Med.Chem., 58, 2015
2JH5	Human Thrombin Hirugen Inhibitor complex Descriptor: 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ... Authors: Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S. Deposit date: 2007-02-20 Release date: 2007-05-08 Last modified: 2017-06-28 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design. Bioorg.Med.Chem.Lett., 17, 2007
2JH0	Human Thrombin Hirugen Inhibitor complex Descriptor: (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ... Authors: Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S. Deposit date: 2007-02-19 Release date: 2007-05-08 Last modified: 2013-08-07 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design. Bioorg.Med.Chem.Lett., 17, 2007
2JH6	Human Thrombin Hirugen Inhibitor complex Descriptor: 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ... Authors: Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S. Deposit date: 2007-02-20 Release date: 2007-05-08 Last modified: 2013-08-07 Method: X-RAY DIFFRACTION (2.21 Å) Cite: Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design. Bioorg.Med.Chem.Lett., 17, 2007

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