2J94
 
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | Descriptor: | 5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE, CALCIUM ION, COAGULATION FACTOR X | | 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 (2.1 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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2OLG
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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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1AD8
 | | COMPLEX OF THROMBIN WITH AND INHIBITOR CONTAINING A NOVEL P1 MOIETY | | Descriptor: | HIRUDIN (53-65) PEPTIDE, SODIUM ION, THROMBIN (LARGE SUBUNIT), ... | | Authors: | Schreuder, H, Tardif, C, Malikayil, J.A. | | Deposit date: | 1997-02-24 | | Release date: | 1997-11-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular design and characterization of an alpha-thrombin inhibitor containing a novel P1 moiety.
Biochemistry, 36, 1997
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3C1K
 | | Crystal structure of thrombin in complex with inhibitor 15 | | Descriptor: | 2-{3-[(benzylsulfonyl)amino]-6-methyl-2-oxopyridin-1(2H)-yl}-N-({1-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-1H-imidazol-5-yl}methyl)acetamide, Hirugen, Prothrombin | | Authors: | Yan, Y. | | Deposit date: | 2008-01-23 | | Release date: | 2008-03-18 | | Last modified: | 2013-03-13 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structure-based design of novel groups for use in the P1 position of thrombin inhibitor scaffolds. Part 2: N-acetamidoimidazoles.
Bioorg.Med.Chem.Lett., 18, 2008
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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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4ISI
 | | Structure of FACTOR VIIA in complex with the inhibitor (6S)-N-(4-CARBAMIMIDOYLBENZYL)-1-CHLORO-3-(CYCLOBUTYLAMINO)-8,8-DIETHYL-4-OXO-4,6,7,8-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-CARBOXAMIDE | | Descriptor: | (6S)-N-(4-carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide, CALCIUM ION, Factor VII heavy chain, ... | | Authors: | Wei, A. | | Deposit date: | 2013-01-16 | | Release date: | 2013-02-27 | | Last modified: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Design and synthesis of bicyclic pyrazinone and pyrimidinone amides as potent TF-FVIIa inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4IW4
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1W11
 | | UROKINASE TYPE PLASMINOGEN ACTIVATOR | | Descriptor: | N-(BENZYLSULFONYL)-D-SERYL-N-{4-[AMINO(IMINO)METHYL]BENZYL}-L-ALANINAMIDE, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | | Authors: | Jacob, U. | | Deposit date: | 2004-06-15 | | Release date: | 2008-05-20 | | Last modified: | 2019-10-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystals of Urokinase Type Plasminogen Activator Complexes Reveal the Binding Mode of Peptidomimetic Inhibitors.
J.Mol.Biol., 328, 2003
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1W13
 | | UROKINASE TYPE PLASMINOGEN ACTIVATOR | | Descriptor: | N-(BENZYLSULFONYL)-D-SERYL-N-(4-{[AMINO(IMINO)METHYL]AMINO}BENZYL)-L-ALANINAMIDE, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | | Authors: | Jacob, U. | | Deposit date: | 2004-06-15 | | Release date: | 2008-05-20 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystals of Urokinase Type Plasminogen Activator Complexes Reveal the Binding Mode of Peptidomimetic Inhibitors.
J.Mol.Biol., 328, 2003
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1W14
 | | UROKINASE TYPE PLASMINOGEN ACTIVATOR | | Descriptor: | N-[(2-PHENYLETHYL)SULFONYL]-D-SERYL-N-[(1S)-4-[(DIAMINOMETHYLENE)AMINO]-1-(HYDROXYMETHYL)BUTYL]-L-ALANINAMIDE, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | | Authors: | Jacob, U. | | Deposit date: | 2004-06-15 | | Release date: | 2008-05-20 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystals of Urokinase Type Plasminogen Activator Complexes Reveal the Binding Mode of Peptidomimetic Inhibitors.
J.Mol.Biol., 328, 2003
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1W10
 | | Urokinase type plasminogen activator | | Descriptor: | N-(ISOBUTOXYCARBONYL)-D-SERYL-N-((1S)-4-{[AMINO(IMINO)METHYL]AMINO}-1-FORMYLBUTYL)-L-ALANINAMIDE, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | | Authors: | Jacob, U. | | Deposit date: | 2004-06-15 | | Release date: | 2008-05-20 | | Last modified: | 2019-09-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystals of urokinase type plasminogen activator complexes reveal the binding mode of peptidomimetic inhibitors.
J.Mol.Biol., 328, 2003
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1W12
 | | UROKINASE TYPE PLASMINOGEN ACTIVATOR | | Descriptor: | N-((1S)-4-{[AMINO(IMINO)METHYL]AMINO}-1-FORMYLBUTYL)-2-{(3R)-3-[(BENZYLSULFONYL)AMINO]-2-OXO-5-PHENYL-2,3-DIHYDRO-1H-1,4-BENZODIAZEPIN-1-YL}ACETAMIDE, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | | Authors: | Jacob, U. | | Deposit date: | 2004-06-15 | | Release date: | 2008-05-20 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystals of Urokinase Type Plasminogen Activator Complexes Reveal the Binding Mode of Peptidomimetic Inhibitors.
J.Mol.Biol., 328, 2003
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1W0Z
 | | Urokinase type plasminogen activator | | Descriptor: | N-(BUTYLSULFONYL)-D-SERYL-N-{4-[AMINO(IMINO)METHYL]BENZYL}-L-ALANINAMIDE, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | | Authors: | Jacob, U. | | Deposit date: | 2004-06-15 | | Release date: | 2008-05-20 | | Last modified: | 2019-09-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystals of urokinase type plasminogen activator complexes reveal the binding mode of peptidomimetic inhibitors.
J.Mol.Biol., 328, 2003
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3HGN
 | | Structure of porcine pancreatic elastase complexed with a potent peptidyl inhibitor FR130180 determined by neutron crystallography | | Descriptor: | 4-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid, CALCIUM ION, Elastase-1, ... | | Authors: | Tamada, T, Kinoshita, T, Kuroki, R, Tada, T. | | Deposit date: | 2009-05-14 | | Release date: | 2009-07-28 | | Last modified: | 2023-11-01 | | Method: | NEUTRON DIFFRACTION (1.65 Å), X-RAY DIFFRACTION | | Cite: | Combined High-Resolution Neutron and X-ray Analysis of Inhibited Elastase Confirms the Active-Site Oxyanion Hole but Rules against a Low-Barrier Hydrogen Bond
J.Am.Chem.Soc., 131, 2009
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2PSX
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3NCL
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3HGP
 | | Structure of porcine pancreatic elastase complexed with a potent peptidyl inhibitor FR130180 determined by high resolution crystallography | | Descriptor: | 4-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid, CALCIUM ION, Elastase-1, ... | | Authors: | Tamada, T, Kinoshita, T, Kuroki, R, Tada, T. | | Deposit date: | 2009-05-14 | | Release date: | 2009-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (0.94 Å) | | Cite: | Combined High-Resolution Neutron and X-ray Analysis of Inhibited Elastase Confirms the Active-Site Oxyanion Hole but Rules against a Low-Barrier Hydrogen Bond
J.Am.Chem.Soc., 131, 2009
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1AZZ
 | | FIDDLER CRAB COLLAGENASE COMPLEXED TO ECOTIN | | Descriptor: | COLLAGENASE, ECOTIN | | Authors: | Perona, J.J, Fletterick, R.J. | | Deposit date: | 1997-11-24 | | Release date: | 1998-02-25 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of an ecotin-collagenase complex suggests a model for recognition and cleavage of the collagen triple helix.
Biochemistry, 36, 1997
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3UTU
 | | High affinity inhibitor of human thrombin | | Descriptor: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2S)-2-[(3-chloro-4-methoxybenzene)sulfonamido]-3-{[(4-cyanophenyl)methyl]carbamoyl}propanoyl]pyrrolidine-2-carboxamide, Hirudin variant-1, SODIUM ION, ... | | Authors: | Baum, B, Steinmetzer, T, Heine, A, Klebe, G. | | Deposit date: | 2011-11-26 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Beyond heparinization: design of highly potent thrombin inhibitors suitable for surface coupling
Chemmedchem, 7, 2012
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3F6U
 | | Crystal structure of human Activated Protein C (APC) complexed with PPACK | | Descriptor: | CALCIUM ION, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, SODIUM ION, ... | | Authors: | Schmidt, A.E, Padmanabhan, K, Underwood, M.C, Bode, W, Mather, T, Bajaj, S.P. | | Deposit date: | 2008-11-06 | | Release date: | 2008-11-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Thermodynamic linkage between the S1 site, the Na+ site, and the Ca2+ site in the protease domain of human activated protein C (APC).
J.Biol.Chem., 277, 2002
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3GOV
 | | Crystal structure of the catalytic region of human MASP-1 | | Descriptor: | GLYCEROL, MASP-1 | | Authors: | Harmat, V, Dobo, J, Beinrohr, L, Sebestyen, E, Zavodszky, P, Gal, P. | | Deposit date: | 2009-03-20 | | Release date: | 2009-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | MASP-1, a promiscuous complement protease: structure of its catalytic region reveals the basis of its broad specificity.
J.Immunol., 183, 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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2Z7F
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1AIX
 | | HUMAN ALPHA-THROMBIN TERNARY COMPLEX WITH EXOSITE INHIBITOR HIRUGEN AND ACTIVE SITE INHIBITOR PHCH2OCO-D-DPA-PRO-BOROVAL | | Descriptor: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN, ... | | Authors: | Skordalakes, E, Dodson, G, Elgendy, S, Goodwin, C.A, Green, D, Tyrrel, R, Scully, M.F, Freyssinet, J, Kakkar, V.V, Deadman, J. | | Deposit date: | 1997-04-30 | | Release date: | 1997-10-15 | | Last modified: | 2013-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The refined 1.9-A X-ray crystal structure of D-Phe-Pro-Arg chloromethylketone-inhibited human alpha-thrombin: structure analysis, overall structure, electrostatic properties, detailed active-site geometry, and structure-function relationships.
Protein Sci., 1, 1992
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