1JAN
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![BU of 1jan by Molmil](/molmil-images/mine/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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1GNW
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![BU of 1gnw by Molmil](/molmil-images/mine/1gnw) | STRUCTURE OF GLUTATHIONE S-TRANSFERASE | Descriptor: | GLUTATHIONE S-TRANSFERASE, S-HEXYLGLUTATHIONE | Authors: | Reinemer, P, Prade, L, Hof, P, Neuefeind, T, Huber, R, Palme, K, Bartunik, H.D, Bieseler, B. | Deposit date: | 1996-09-15 | Release date: | 1997-09-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Three-dimensional structure of glutathione S-transferase from Arabidopsis thaliana at 2.2 A resolution: structural characterization of herbicide-conjugating plant glutathione S-transferases and a novel active site architecture. J.Mol.Biol., 255, 1996
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1GSS
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![BU of 1gss by Molmil](/molmil-images/mine/1gss) | THREE-DIMENSIONAL STRUCTURE OF CLASS PI GLUTATHIONE S-TRANSFERASE FROM HUMAN PLACENTA IN COMPLEX WITH S-HEXYLGLUTATHIONE AT 2.8 ANGSTROMS RESOLUTION | Descriptor: | GLUTATHIONE S-TRANSFERASE, L-gamma-glutamyl-S-hexyl-L-cysteinylglycine | Authors: | Reinemer, P, Dirr, H.W, Ladenstein, R, Lobello, M, Federici, G, Huber, R, Parker, M.W. | Deposit date: | 1992-05-28 | Release date: | 1994-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Three-dimensional structure of class pi glutathione S-transferase from human placenta in complex with S-hexylglutathione at 2.8 A resolution. J.Mol.Biol., 227, 1992
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2GSR
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![BU of 2gsr by Molmil](/molmil-images/mine/2gsr) | |
2W26
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![BU of 2w26 by Molmil](/molmil-images/mine/2w26) | Factor Xa in complex with BAY59-7939 | Descriptor: | 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION | Authors: | Roehrig, S, Straub, A, Pohlmann, J, Lampe, T, Pernerstorfer, J, Schlemmer, K, Reinemer, P, Perzborn, E, Schaefer, M. | Deposit date: | 2008-10-24 | Release date: | 2008-11-11 | Last modified: | 2021-04-28 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Discovery of the Novel Antithrombotic Agent 5-Chloro-N-({(5S)-2-Oxo-3- [4-(3-Oxomorpholin-4-Yl)Phenyl]-1,3-Oxazolidin-5-Yl}Methyl)Thiophene-2- Carboxamide (Bay 59-7939): An Oral, Direct Factor Xa Inhibitor. J.Med.Chem., 48, 2005
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1JAO
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![BU of 1jao by Molmil](/molmil-images/mine/1jao) | COMPLEX OF 3-MERCAPTO-2-BENZYLPROPANOYL-ALA-GLY-NH2 WITH THE CATALYTIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM) | Descriptor: | CALCIUM ION, MATRIX METALLO PROTEINASE-8 (MET80 FORM), N-[(2S)-2-benzyl-3-sulfanylpropanoyl]-L-alanylglycinamide, ... | Authors: | Grams, F, Reinemer, P, Powers, J.C, Kleine, T, Piper, M, Tschesche, H, Huber, R, Bode, W. | Deposit date: | 1996-03-11 | Release date: | 1996-07-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray structures of human neutrophil collagenase complexed with peptide hydroxamate and peptide thiol inhibitors. Implications for substrate binding and rational drug design. Eur.J.Biochem., 228, 1995
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1JAP
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![BU of 1jap by Molmil](/molmil-images/mine/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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1JAQ
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![BU of 1jaq by Molmil](/molmil-images/mine/1jaq) | COMPLEX OF 1-HYDROXYLAMINE-2-ISOBUTYLMALONYL-ALA-GLY-NH2 WITH THE CATALYTIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM) | Descriptor: | CALCIUM ION, MATRIX METALLO PROTEINASE-8 (MET80 FORM), N-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alanylglycinamide, ... | Authors: | Grams, F, Reinemer, P, Powers, J.C, Kleine, T, Piper, M, Tschesche, H, Huber, R, Bode, W. | Deposit date: | 1996-03-11 | Release date: | 1996-07-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray structures of human neutrophil collagenase complexed with peptide hydroxamate and peptide thiol inhibitors. Implications for substrate binding and rational drug design. Eur.J.Biochem., 228, 1995
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1AW9
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![BU of 1aw9 by Molmil](/molmil-images/mine/1aw9) | STRUCTURE OF GLUTATHIONE S-TRANSFERASE III IN APO FORM | Descriptor: | CADMIUM ION, GLUTATHIONE S-TRANSFERASE III | Authors: | Neuefeind, T, Huber, R, Reinemer, P, Knaeblein, J. | Deposit date: | 1997-10-13 | Release date: | 1998-10-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cloning, sequencing, crystallization and X-ray structure of glutathione S-transferase-III from Zea mays var. mutin: a leading enzyme in detoxification of maize herbicides. J.Mol.Biol., 274, 1997
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1IAR
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![BU of 1iar by Molmil](/molmil-images/mine/1iar) | INTERLEUKIN-4 / RECEPTOR ALPHA CHAIN COMPLEX | Descriptor: | PROTEIN (INTERLEUKIN-4 RECEPTOR ALPHA CHAIN), PROTEIN (INTERLEUKIN-4) | Authors: | Hage, T, Sebald, W, Reinemer, P. | Deposit date: | 1999-02-25 | Release date: | 2000-03-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the interleukin-4/receptor alpha chain complex reveals a mosaic binding interface. Cell(Cambridge,Mass.), 97, 1999
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1TSP
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![BU of 1tsp by Molmil](/molmil-images/mine/1tsp) | CRYSTAL STRUCTURE OF P22 TAILSPIKE PROTEIN: INTERDIGITATED SUBUNITS IN A THERMOSTABLE TRIMER | Descriptor: | TAILSPIKE-PROTEIN | Authors: | Steinbacher, S, Seckler, R, Miller, S, Steipe, B, Huber, R, Reinemer, P. | Deposit date: | 1994-06-16 | Release date: | 1995-09-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of P22 tailspike protein: interdigitated subunits in a thermostable trimer. Science, 265, 1994
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1MMB
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![BU of 1mmb by Molmil](/molmil-images/mine/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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1GNE
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![BU of 1gne by Molmil](/molmil-images/mine/1gne) | THE THREE-DIMENSIONAL STRUCTURE OF GLUTATHIONE S-TRANSFERASE OF SCHISTOSOMA JAPONICUM FUSED WITH A CONSERVED NEUTRALIZING EPITOPE ON GP41 OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 | Descriptor: | GLUTATHIONE, GLUTATHIONE S-TRANSFERASE | Authors: | Lim, K, Ho, J.X, Keeling, K, Gilliland, G.L, Ji, X, Ruker, F, Carter, D.C. | Deposit date: | 1994-06-16 | Release date: | 1994-11-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Three-dimensional structure of Schistosoma japonicum glutathione S-transferase fused with a six-amino acid conserved neutralizing epitope of gp41 from HIV. Protein Sci., 3, 1994
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5IWG
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![BU of 5iwg by Molmil](/molmil-images/mine/5iwg) | HDAC2 WITH LIGAND BRD4884 | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Steinbacher, S. | Deposit date: | 2016-03-22 | Release date: | 2016-08-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Kinetic and structural insights into the binding of histone deacetylase 1 and 2 (HDAC1, 2) inhibitors. Bioorg.Med.Chem., 24, 2016
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5IX0
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![BU of 5ix0 by Molmil](/molmil-images/mine/5ix0) | HDAC2 WITH LIGAND BRD7232 | Descriptor: | (3-exo)-N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide, 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ... | Authors: | Steinbacher, S. | Deposit date: | 2016-03-23 | Release date: | 2016-08-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Kinetic and structural insights into the binding of histone deacetylase 1 and 2 (HDAC1, 2) inhibitors. Bioorg.Med.Chem., 24, 2016
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4PGT
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![BU of 4pgt by Molmil](/molmil-images/mine/4pgt) | CRYSTAL STRUCTURE OF HGSTP1-1[V104] COMPLEXED WITH THE GSH CONJUGATE OF (+)-ANTI-BPDE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID, PROTEIN (GLUTATHIONE S-TRANSFERASE), ... | Authors: | Ji, X, Blaszczyk, J. | Deposit date: | 1999-03-22 | Release date: | 1999-09-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and function of residue 104 and water molecules in the xenobiotic substrate-binding site in human glutathione S-transferase P1-1. Biochemistry, 38, 1999
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3PGT
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![BU of 3pgt by Molmil](/molmil-images/mine/3pgt) | CRYSTAL STRUCTURE OF HGSTP1-1[I104] COMPLEXED WITH THE GSH CONJUGATE OF (+)-ANTI-BPDE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID, PROTEIN (GLUTATHIONE S-TRANSFERASE), ... | Authors: | Ji, X, Xiao, B. | Deposit date: | 1999-03-22 | Release date: | 1999-09-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structure and function of residue 104 and water molecules in the xenobiotic substrate-binding site in human glutathione S-transferase P1-1. Biochemistry, 38, 1999
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2PGT
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![BU of 2pgt by Molmil](/molmil-images/mine/2pgt) | CRYSTAL STRUCTURE OF HUMAN GLUTATHIONE S-TRANSFERASE P1-1[V104] COMPLEXED WITH (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE | Descriptor: | (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, ... | Authors: | Ji, X. | Deposit date: | 1997-02-17 | Release date: | 1997-09-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and function of the xenobiotic substrate-binding site and location of a potential non-substrate-binding site in a class pi glutathione S-transferase. Biochemistry, 36, 1997
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1PGT
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1PMA
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![BU of 1pma by Molmil](/molmil-images/mine/1pma) | PROTEASOME FROM THERMOPLASMA ACIDOPHILUM | Descriptor: | PROTEASOME | Authors: | Loewe, J, Stock, D, Jap, B, Zwickl, P, Baumeister, W, Huber, R. | Deposit date: | 1994-12-19 | Release date: | 1996-06-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Crystal structure of the 20S proteasome from the archaeon T. acidophilum at 3.4 A resolution. Science, 268, 1995
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9GSS
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![BU of 9gss by Molmil](/molmil-images/mine/9gss) | HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH S-HEXYL GLUTATHIONE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE P1-1, S-HEXYLGLUTATHIONE, ... | Authors: | Oakley, A, Parker, M. | Deposit date: | 1997-08-14 | Release date: | 1998-09-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution. J.Mol.Biol., 274, 1997
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3Q76
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![BU of 3q76 by Molmil](/molmil-images/mine/3q76) | Structure of human neutrophil elastase (uncomplexed) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Neutrophil elastase, ... | Authors: | Hansen, G, Niefind, K. | Deposit date: | 2011-01-04 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.861 Å) | Cite: | Unexpected active-site flexibility in the structure of human neutrophil elastase in complex with a new dihydropyrimidone inhibitor. J.Mol.Biol., 409, 2011
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3Q77
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![BU of 3q77 by Molmil](/molmil-images/mine/3q77) | Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxyethyl (4R)-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ... | Authors: | Hansen, G, Niefind, K. | Deposit date: | 2011-01-04 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Unexpected active-site flexibility in the structure of human neutrophil elastase in complex with a new dihydropyrimidone inhibitor. J.Mol.Biol., 409, 2011
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8GSS
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![BU of 8gss by Molmil](/molmil-images/mine/8gss) | Human glutathione S-transferase P1-1, complex with glutathione | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1, ... | Authors: | Oakley, A, Parker, M. | Deposit date: | 1997-08-14 | Release date: | 1998-09-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution. J.Mol.Biol., 274, 1997
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1ZVX
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![BU of 1zvx by Molmil](/molmil-images/mine/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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