1SBT
 
 | | ATOMIC COORDINATES FOR SUBTILISIN BPN (OR NOVO) | | Descriptor: | SUBTILISIN BPN' | | Authors: | Alden, R.A, Birktoft, J.J, Kraut, J, Robertus, J.D, Wright, C.S. | | Deposit date: | 1972-08-11 | | Release date: | 1977-01-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Atomic coordinates for subtilisin BPN' (or Novo).
Biochem.Biophys.Res.Commun., 45, 1971
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2R9C
 | | Calpain 1 proteolytic core inactivated by ZLAK-3001, an alpha-ketoamide | | Descriptor: | CALCIUM ION, CHLORIDE ION, Calpain-1 catalytic subunit, ... | | Authors: | Qian, J, Campbell, R.L, Davies, P.L. | | Deposit date: | 2007-09-12 | | Release date: | 2008-08-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cocrystal structures of primed side-extending alpha-ketoamide inhibitors reveal novel calpain-inhibitor aromatic interactions.
J.Med.Chem., 51, 2008
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2R9F
 | | Calpain 1 proteolytic core inactivated by ZLAK-3002, an alpha-ketoamide | | Descriptor: | CALCIUM ION, CHLORIDE ION, Calpain-1 catalytic subunit, ... | | Authors: | Qian, J, Campbell, R.L, Davies, P.L. | | Deposit date: | 2007-09-12 | | Release date: | 2008-08-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Cocrystal structures of primed side-extending alpha-ketoamide inhibitors reveal novel calpain-inhibitor aromatic interactions.
J.Med.Chem., 51, 2008
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3GCD
 | | Structure of the V. cholerae RTX cysteine protease domain in complex with an aza-Leucine peptide inhibitor | | Descriptor: | INOSITOL HEXAKISPHOSPHATE, RTX toxin RtxA, SODIUM ION, ... | | Authors: | Lupardus, P.J, Garcia, K.C, Shen, A, Bogyo, M. | | Deposit date: | 2009-02-21 | | Release date: | 2009-05-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Mechanistic and structural insights into the proteolytic activation of Vibrio cholerae MARTX toxin.
Nat.Chem.Biol., 5, 2009
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2C1E
 | | Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors. | | Descriptor: | AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-14-(4-ETHOXY-4-OXOBUTANOYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN -16-OIC ACID, ... | | Authors: | Grutter, M.G. | | Deposit date: | 2005-09-14 | | Release date: | 2006-09-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10.
J.Med.Chem., 49, 2006
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1CGH
 | | Human cathepsin G | | Descriptor: | CATHEPSIN G, N-(3-carboxypropanoyl)-L-valyl-N-{(1R)-1-[(S)-hydroxy(oxido)phosphanyl]-2-phenylethyl}-L-prolinamide | | Authors: | Hof, P, Bode, W. | | Deposit date: | 1996-06-26 | | Release date: | 1997-07-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The 1.8 A crystal structure of human cathepsin G in complex with Suc-Val-Pro-PheP-(OPh)2: a Janus-faced proteinase with two opposite specificities.
EMBO J., 15, 1996
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1PPF
 | | X-RAY CRYSTAL STRUCTURE OF THE COMPLEX OF HUMAN LEUKOCYTE ELASTASE (PMN ELASTASE) AND THE THIRD DOMAIN OF THE TURKEY OVOMUCOID INHIBITOR | | Descriptor: | HUMAN LEUKOCYTE ELASTASE, TURKEY OVOMUCOID INHIBITOR (OMTKY3), alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Bode, W, Wei, A-Z. | | Deposit date: | 1991-10-24 | | Release date: | 1994-01-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystal structure of the complex of human leukocyte elastase (PMN elastase) and the third domain of the turkey ovomucoid inhibitor.
EMBO J., 5, 1986
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1T32
 | | A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation | | Descriptor: | 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, Cathepsin G, SULFATE ION | | Authors: | de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E. | | Deposit date: | 2004-04-23 | | Release date: | 2005-03-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo.
J.Biol.Chem., 280, 2005
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1ZS0
 | | Crystal structure of the complex between MMP-8 and a phosphonate inhibitor (S-enantiomer) | | Descriptor: | (1S)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Pochetti, G, Gavuzzo, E, Campestre, C, Agamennone, M, Tortorella, P, Consalvi, V, Gallina, C, Hiller, O, Tschesche, H, Tucker, P.A, Mazza, F. | | Deposit date: | 2005-05-23 | | Release date: | 2006-05-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural insight into the stereoselective inhibition of MMP-8 by enantiomeric sulfonamide phosphonates.
J.Med.Chem., 49, 2006
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1ZVX
 | | Crystal structure of the complex between MMP-8 and a phosphonate inhibitor (R-enantiomer) | | Descriptor: | (1R)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID, CALCIUM ION, Neutrophil collagenase, ... | | Authors: | Pochetti, G, Gavuzzo, E, Campestre, C, Agamennone, M, Tortorella, P, Consalvi, V, Gallina, C, Hiller, O, Tschesche, H, Tucker, P.A, Mazza, F. | | Deposit date: | 2005-06-03 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural insight into the stereoselective inhibition of MMP-8 by enantiomeric sulfonamide phosphonates.
J.Med.Chem., 49, 2006
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1MMB
 | | COMPLEX OF BB94 WITH THE CATALYTIC DOMAIN OF MATRIX METALLOPROTEINASE-8 | | Descriptor: | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, CALCIUM ION, MATRIX METALLOPROTEINASE-8, ... | | Authors: | Bode, W, Grams, F. | | Deposit date: | 1995-08-23 | | Release date: | 1996-10-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure determination and analysis of human neutrophil collagenase complexed with a hydroxamate inhibitor.
Biochemistry, 34, 1995
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1H8I
 | | X-ray crystal structure of human alpha-thrombin with a tripeptide phosphonate inhibitor. | | Descriptor: | HIRUDIN I, N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-[(1S)-4-methoxy-1-phosphonobutyl]-L-prolinamide, THROMBIN | | Authors: | Skordalakes, E, Dodson, G.G, Green, D, Deadman, J. | | Deposit date: | 2001-02-08 | | Release date: | 2001-03-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Inhibition of Human Alpha-Thrombin by a Phosphonate Tripeptide Proceeds Via a Metastable Pentacoordinated Phosphorus Intermediate
J.Mol.Biol., 311, 2001
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1H8D
 | | X-ray structure of the human alpha-thrombin complex with a tripeptide phosphonate inhibitor. | | Descriptor: | HIRUDIN I, N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-{(1S,3E)-1-[dihydroxy(diphenoxy)-lambda~5~-phosphanyl]-4-methoxybut-3-en-1-yl}-L-prolinamide, THROMBIN | | Authors: | Skordalakes, E, Dodson, G.G, Green, D, Deadman, J. | | Deposit date: | 2001-02-01 | | Release date: | 2001-02-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Inhibition of Human Alpha-Thrombin by a Phosphonate Tripeptide Proceeds Via a Metastable Pentacoordinated Phosphorus Intermediate
J.Mol.Biol., 311, 2001
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1I76
 | | COMPLEX OF 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID (D-TIC DERIVATIVE) WITH T CATALITIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM) | | Descriptor: | 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID, CALCIUM ION, NEUTROPHIL COLLAGENASE, ... | | Authors: | Gavuzzo, E, Pochetti, G, Mazza, F, Gallina, C, Gorini, B, D'Alessio, S, Pieper, M, Tschesche, H, Tucker, P.A. | | Deposit date: | 2001-03-08 | | Release date: | 2001-03-21 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Two crystal structures of human neutrophil collagenase, one complexed with a primed- and the other with an unprimed-side inhibitor: implications for drug design.
J.Med.Chem., 43, 2000
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1I73
 | | COMPLEX OF PRO-LEU-L-TRP PHOSPHONATE WITH THE CATALITIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM) | | Descriptor: | CALCIUM ION, NEUTROPHIL COLLAGENASE, THREE RESIDUE PEPTIDE INHIBITOR, ... | | Authors: | Gavuzzo, E, Pochetti, G, Mazza, F, Gallina, C, Gorini, B, D'Alessio, S, Pieper, M, Tschesche, H, Tucker, P.A. | | Deposit date: | 2001-03-07 | | Release date: | 2001-03-21 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Two crystal structures of human neutrophil collagenase, one complexed with a primed- and the other with an unprimed-side inhibitor: implications for drug design.
J.Med.Chem., 43, 2000
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1JAP
 | | COMPLEX OF PRO-LEU-GLY-HYDROXYLAMINE WITH THE CATALYTIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM) | | Descriptor: | CALCIUM ION, MATRIX METALLO PROTEINASE-8 (MET80 FORM), PRO-LEU-GLY-HYDROXYLAMINE, ... | | Authors: | Bode, W, Reinemer, P, Huber, R, Kleine, T, Schnierer, S, Tschesche, H. | | Deposit date: | 1996-03-11 | | Release date: | 1996-07-11 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | The X-ray crystal structure of the catalytic domain of human neutrophil collagenase inhibited by a substrate analogue reveals the essentials for catalysis and specificity.
EMBO J., 13, 1994
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1JAN
 | | COMPLEX OF PRO-LEU-GLY-HYDROXYLAMINE WITH THE CATALYTIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (PHE79 FORM) | | Descriptor: | CALCIUM ION, MATRIX METALLO PROTEINASE-8 (PHE79 FORM), PRO-LEU-GLY-HYDROXYLAMINE INHIBITOR, ... | | Authors: | Reinemer, P, Grams, F, Huber, R, Kleine, T, Schnierer, S, Pieper, M, Tschesche, H, Bode, W. | | Deposit date: | 1996-03-11 | | Release date: | 1996-07-11 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural implications for the role of the N terminus in the 'superactivation' of collagenases. A crystallographic study.
FEBS Lett., 338, 1994
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1ELT
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