4JZ1
 
 | | Crystal Structure of Matriptase in complex with Inhibitor | | Descriptor: | 4,4'-[(3-{[(4-fluorophenyl)sulfonyl]amino}pyridine-2,6-diyl)bis(oxy)]dibenzenecarboximidamide, Suppressor of tumorigenicity 14 protein | | Authors: | Subramanya, H.S, Ravi, B.C, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S. | | Deposit date: | 2013-04-02 | | Release date: | 2014-02-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors
ACS MED.CHEM.LETT., 4, 2013
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4GVU
 | | Lyngbyastatin 7-Porcine Pancreatic Elastase Co-crystal Structure | | Descriptor: | CALCIUM ION, Chymotrypsin-like elastase family member 1, Lyngbyastatin 7, ... | | Authors: | Salvador, L.A, Taori, K, Biggs, J.S, Jakoncic, J, Ostrov, D, Paul, V.J, Luesch, H. | | Deposit date: | 2012-08-31 | | Release date: | 2013-02-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Potent elastase inhibitors from cyanobacteria: structural basis and mechanisms mediating cytoprotective and anti-inflammatory effects in bronchial epithelial cells.
J.Med.Chem., 56, 2013
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1A3E
 | | COMPLEX OF HUMAN ALPHA-THROMBIN WITH THE BIFUNCTIONAL BORONATE INHIBITOR BOROLOG2 | | Descriptor: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), BOROLOG2, ... | | Authors: | Skordalakes, E, Elgendy, S, Goodwin, C.A, Green, D, Scullly, M.F, Kakkar, V.V, Freyssinet, J.M, Dodson, G, Deadman, J. | | Deposit date: | 1998-01-21 | | Release date: | 1998-06-03 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Bifunctional peptide boronate inhibitors of thrombin: crystallographic analysis of inhibition enhanced by linkage to an exosite 1 binding peptide.
Biochemistry, 37, 1998
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1A3B
 | | COMPLEX OF HUMAN ALPHA-THROMBIN WITH THE BIFUNCTIONAL BORONATE INHIBITOR BOROLOG1 | | Descriptor: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), Hirudin, ... | | Authors: | Skordalakes, E, Elgendy, S, Dodson, G, Goodwin, C.A, Green, D, Scully, M.F, Freyssinet, J.H, Kakkar, V.V, Deadman, J. | | Deposit date: | 1998-01-20 | | Release date: | 1998-06-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bifunctional peptide boronate inhibitors of thrombin: crystallographic analysis of inhibition enhanced by linkage to an exosite 1 binding peptide.
Biochemistry, 37, 1998
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5MT4
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8BP8
 | | SPA of Trypsin untreated Rotavirus TLP spike | | Descriptor: | CALCIUM ION, Inner capsid protein VP2, Intermediate capsid protein VP6, ... | | Authors: | Shah, P.N.M, Stuart, D.I. | | Deposit date: | 2022-11-16 | | Release date: | 2023-04-05 | | Last modified: | 2023-04-26 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Characterization of the rotavirus assembly pathway in situ using cryoelectron tomography.
Cell Host Microbe, 31, 2023
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5MT0
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5LPF
 | | Kallikrein-related peptidase 10 | | Descriptor: | Kallikrein-10, SULFATE ION | | Authors: | Goettig, P, Debela, M, Magdolen, V, Bode, W, Brandstetter, H. | | Deposit date: | 2016-08-12 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for the Zn2+ inhibition of the zymogen-like kallikrein-related peptidase 10.
Biol.Chem., 397, 2016
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5LPE
 | | Kallikrein-related peptidase 10 complex with Zn2+ | | Descriptor: | Kallikrein-10, SULFATE ION, ZINC ION | | Authors: | Goettig, P, Debela, M, Magdolen, V, Bode, W, Brandstetter, H. | | Deposit date: | 2016-08-12 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis for the Zn2+ inhibition of the zymogen-like kallikrein-related peptidase 10.
Biol.Chem., 397, 2016
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7NAM
 | | LRP6_E1 in complex with Lr-EET-3.5 | | Descriptor: | Low-density lipoprotein receptor-related protein 6, SODIUM ION, Trypsin inhibitor 2, ... | | Authors: | Hansen, S, Hannoush, R.N. | | Deposit date: | 2021-06-21 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Directed evolution identifies high-affinity cystine-knot peptide agonists and antagonists of Wnt/ beta-catenin signaling.
Proc.Natl.Acad.Sci.USA, 119, 2022
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1AWF
 | | NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT | | Descriptor: | ALPHA THROMBIN, HIRUGEN, R3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-12,16-DIHYDROXY-14-HYDROXYMETHYL-4,10,13-TRIMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID IDOPYRANOSYL ESTER | | Authors: | Jhoti, H, Cleasby, A, Wonacott, A. | | Deposit date: | 1997-10-02 | | Release date: | 1998-10-28 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies.
Biochemistry, 37, 1998
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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
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1M20
 | | Crystal Structure of F35Y Mutant of Trypsin-solubilized Fragment of Cytochrome b5 | | Descriptor: | Cytochrome b5, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yao, P, Wu, J, Wang, Y.-H, Sun, B.-Y, Xia, Z.-X, Huang, Z.-X. | | Deposit date: | 2002-06-20 | | Release date: | 2002-09-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystallography, CD and kinetic studies revealed the essence of the abnormal behaviors of the cytochrome b5 Phe35-->Tyr mutant.
Eur.J.Biochem., 269, 2002
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1M59
 | | Crystal Structure of P40V Mutant of Trypsin-solubilized Fragment of Cytochrome b5 | | Descriptor: | Cytochrome b5, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Wang, Z.-Q, Wu, J, Wang, Y.-H, Qian, W, Xie, Y, Xia, Z.-X, Huang, Z.-X. | | Deposit date: | 2002-07-09 | | Release date: | 2003-03-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Proline40 is essential to maintaining cytochrome b5 stability and its electron transfer with cytochrome c
Chin.J.Chem., 20, 2002
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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
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4Y76
 | | Factor Xa complex with GTC000401 | | Descriptor: | CALCIUM ION, Coagulation factor X, N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide | | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | | Deposit date: | 2015-02-13 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.
J. Med. Chem., 50, 2007
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4Y79
 | | Factor Xa complex with GTC000406 | | Descriptor: | (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide, CALCIUM ION, Coagulation factor X, ... | | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | | Deposit date: | 2015-02-13 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.
J. Med. Chem., 50, 2007
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4Y7B
 | | Factor Xa complex with GTC000441 | | Descriptor: | 6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide, CALCIUM ION, Coagulation factor X | | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | | Deposit date: | 2015-02-13 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Factor Xa complex with GTC000441
to be published
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4Y71
 | | Factor Xa complex with GTC000398 | | Descriptor: | 6-chloro-N-{(3S)-1-[(2S)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulf onamide, CALCIUM ION, Coagulation factor X | | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | | Deposit date: | 2015-02-13 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Factor Xa complex with GTC000398
To be Published
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4Y7A
 | | Factor Xa complex with GTC000422 | | Descriptor: | CALCIUM ION, Coagulation factor X, MAGNESIUM ION, ... | | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | | Deposit date: | 2015-02-13 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Factor Xa complex with GTC000422
to be published
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2F9P
 | | Crystal Structure of the Recombinant Human Alpha I Tryptase Mutant D216G in Complex with Leupeptin | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Leupeptin, ... | | Authors: | Rohr, K.B, Selwood, T, Marquardt, U, Huber, R, Schechter, N.M, Bode, W, Than, M.E. | | Deposit date: | 2005-12-06 | | Release date: | 2006-01-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | X-ray Structures of Free and Leupeptin-complexed Human alpha I-Tryptase Mutants: Indication for an alpha to beta-Tryptase Transition
J.Mol.Biol., 357, 2005
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2F9N
 | | Crystal Structure of the Recombinant Human Alpha I Tryptase Mutant K192Q/D216G in Complex with Leupeptin | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Leupeptin, ... | | Authors: | Rohr, K.B, Selwood, T, Marquardt, U, Huber, R, Schechter, N.M, Bode, W, Than, M.E. | | Deposit date: | 2005-12-06 | | Release date: | 2006-01-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-ray Structures of Free and Leupeptin-complexed Human alpha I-Tryptase Mutants: Indication for an alpha to beta-Tryptase Transition
J.Mol.Biol., 357, 2005
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3K2U
 | | Crystal structure of HGFA in complex with the allosteric inhibitory antibody Fab40 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody, Fab fragment, ... | | Authors: | Ganesan, R, Eigenbrot, C, Shia, S. | | Deposit date: | 2009-09-30 | | Release date: | 2009-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Unraveling the allosteric mechanism of serine protease inhibition by an antibody.
Structure, 17, 2009
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2PUQ
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2J95
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | Descriptor: | 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ... | | Authors: | Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P. | | Deposit date: | 2006-11-02 | | Release date: | 2007-03-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides.
J.Med.Chem., 50, 2007
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