1UVU
 
 | | BOVINE THROMBIN--BM12.1700 COMPLEX | | Descriptor: | 3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-PROPIONIC ACID ETHYL ESTER, THROMBIN | | Authors: | Engh, R.A, Huber, R. | | Deposit date: | 1996-10-16 | | Release date: | 1997-11-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design.
Structure, 4, 1996
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1BBR
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1UVT
 | | BOVINE THROMBIN--BM14.1248 COMPLEX | | Descriptor: | N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE, THROMBIN | | Authors: | Engh, R.A, Huber, R. | | Deposit date: | 1996-10-16 | | Release date: | 1997-11-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design.
Structure, 4, 1996
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3DF0
 | | Calcium-dependent complex between m-calpain and calpastatin | | Descriptor: | CALCIUM ION, Calpain small subunit 1, Calpain-2 catalytic subunit, ... | | Authors: | Moldoveanu, T, Gehring, K, Green, D.R. | | Deposit date: | 2008-06-11 | | Release date: | 2008-11-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Concerted multi-pronged attack by calpastatin to occlude the catalytic cleft of heterodimeric calpains.
Nature, 456, 2008
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5TO3
 | | Crystal structure of thrombin mutant W215A/E217A fused to EGF456 of thrombomodulin via a 31-residue linker and bound to PPACK | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose-(1-4)-[beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | | Authors: | Barranco-Medina, S, Murphy, M, Pelc, L, Chen, Z, Di Cera, E, Pozzi, N. | | Deposit date: | 2016-10-16 | | Release date: | 2017-03-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Rational Design of Protein C Activators.
Sci Rep, 7, 2017
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6V64
 | | Crystal structure of human thrombin bound to ppack with tryptophans replaced by 5-F-tryptophan | | 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: | Ruben, E.A, Chen, Z, Di Cera, E. | | Deposit date: | 2019-12-04 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | 19F NMR reveals the conformational properties of free thrombin and its zymogen precursor prethrombin-2.
J.Biol.Chem., 295, 2020
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1A85
 | | MMP8 WITH MALONIC AND ASPARAGINE BASED INHIBITOR | | Descriptor: | CALCIUM ION, MMP-8, N~1~-(3-aminobenzyl)-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-aspartamide, ... | | Authors: | Brandstetter, H, Roedern, E.G.V, Grams, F, Engh, R.A. | | Deposit date: | 1998-04-03 | | Release date: | 1999-04-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of malonic acid-based inhibitors bound to human neutrophil collagenase. A new binding mode explains apparently anomalous data.
Protein Sci., 7, 1998
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1LDT
 | | COMPLEX OF LEECH-DERIVED TRYPTASE INHIBITOR WITH PORCINE TRYPSIN | | Descriptor: | CALCIUM ION, TRYPSIN, TRYPTASE INHIBITOR | | Authors: | Stubbs, M.T. | | Deposit date: | 1997-05-15 | | Release date: | 1998-05-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The three-dimensional structure of recombinant leech-derived tryptase inhibitor in complex with trypsin. Implications for the structure of human mast cell tryptase and its inhibition.
J.Biol.Chem., 272, 1997
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1A86
 | | MMP8 WITH MALONIC AND ASPARTIC ACID BASED INHIBITOR | | Descriptor: | CALCIUM ION, MMP-8, N-benzyl-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alpha-asparagine, ... | | Authors: | Brandstetter, H, Roedern, E.G.V, Grams, F, Engh, R.A. | | Deposit date: | 1998-04-03 | | Release date: | 1999-05-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of malonic acid-based inhibitors bound to human neutrophil collagenase. A new binding mode explains apparently anomalous data.
Protein Sci., 7, 1998
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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: | 2024-11-13 | | 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: | 2024-10-16 | | 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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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: | 2024-11-20 | | 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: | 2024-10-16 | | 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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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: | 2024-11-20 | | 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: | 2024-11-13 | | 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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1MAY
 | | BETA-TRYPSIN PHOSPHONATE INHIBITED | | Descriptor: | BETA-TRYPSIN, CALCIUM ION, [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE | | Authors: | Bertrand, J, Oleksyszyn, J, Kam, C, Boduszek, B, Presnell, S, Plaskon, R, Suddath, F, Powers, J, Williams, L. | | Deposit date: | 1996-02-06 | | Release date: | 1996-10-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Inhibition of trypsin and thrombin by amino(4-amidinophenyl)methanephosphonate diphenyl ester derivatives: X-ray structures and molecular models.
Biochemistry, 35, 1996
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1BR9
 | | HUMAN TISSUE INHIBITOR OF METALLOPROTEINASE-2 | | Descriptor: | METALLOPROTEINASE-2 INHIBITOR | | Authors: | Tuuttila, A, Morgunova, E, Bergmann, U, Lindqvist, Y, Tryggvason, K, Schneider, G. | | Deposit date: | 1998-08-28 | | Release date: | 1999-05-04 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Three-dimensional structure of human tissue inhibitor of metalloproteinases-2 at 2.1 A resolution.
J.Mol.Biol., 284, 1998
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1MAX
 | | BETA-TRYPSIN PHOSPHONATE INHIBITED | | Descriptor: | BETA-TRYPSIN, CALCIUM ION, [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE | | Authors: | Bertrand, J, Oleksyszyn, J, Kam, C, Boduszek, B, Presnell, S, Plaskon, R, Suddath, F, Powers, J, Williams, L. | | Deposit date: | 1996-02-06 | | Release date: | 1996-10-14 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Inhibition of trypsin and thrombin by amino(4-amidinophenyl)methanephosphonate diphenyl ester derivatives: X-ray structures and molecular models.
Biochemistry, 35, 1996
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1QB6
 | | BOVINE TRYPSIN 3,3'-[3,5-DIFLUORO-4-METHYL-2, 6-PYRIDINEDIYLBIS(OXY)]BIS(BENZENECARBOXIMIDAMIDE) (ZK-805623) COMPLEX | | Descriptor: | 3,3'-[3,5-DIFLUORO-4-METHYL-2,6-PYRIDYLENEBIS(OXY)]-BIS(BENZENECARBOXIMIDAMIDE), CALCIUM ION, POTASSIUM ION, ... | | Authors: | Whitlow, M. | | Deposit date: | 1999-04-29 | | Release date: | 2000-04-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
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1QBN
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1QB9
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4BFH
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7API
 | | THE S VARIANT OF HUMAN ALPHA1-ANTITRYPSIN, STRUCTURE AND IMPLICATIONS FOR FUNCTION AND METABOLISM | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA 1-ANTITRYPSIN, ... | | Authors: | Loebermann, H, Tokuoka, R, Deisenhofer, J, Huber, R. | | Deposit date: | 1988-09-08 | | Release date: | 1990-10-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The S variant of human alpha 1-antitrypsin, structure and implications for function and metabolism.
Protein Eng., 2, 1989
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1K21
 | | HUMAN THROMBIN-INHIBITOR COMPLEX | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, Prothrombin, ... | | Authors: | Stubbs, M.T, Musil, D. | | Deposit date: | 2001-09-26 | | Release date: | 2002-05-08 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
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3BA0
 | | Crystal structure of full-length human MMP-12 | | Descriptor: | ACETOHYDROXAMIC ACID, CALCIUM ION, Macrophage metalloelastase, ... | | Authors: | Bertini, I, Calderone, V, Fragai, M, Jaiswal, R, Luchinat, C, Melikian, M, Myonas, E, Svergun, D.I. | | Deposit date: | 2007-11-07 | | Release date: | 2008-07-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Evidence of reciprocal reorientation of the catalytic and hemopexin-like domains of full-length MMP-12.
J.Am.Chem.Soc., 130, 2008
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