1OS9
 
 | | Binary enzyme-product complexes of human MMP12 | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, ZINC ION | | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mangani, S, Terni, B. | | Deposit date: | 2003-03-19 | | Release date: | 2003-08-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | X-ray Structures of Binary and Ternary Enzyme-Product-Inhibitor Complexes of Matrix Metalloproteinases
Angew.Chem.Int.Ed.Engl., 42, 2003
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1IAA
 | | CRYSTAL STRUCTURES, SPECTROSCOPIC FEATURES, AND CATALYTIC PROPERTIES OF COBALT(II), COPPER(II), NICKEL(II), AND MERCURY(II) DERIVATIVES OF THE ZINC ENDOPEPTIDASE ASTACIN. A CORRELATION OF STRUCTURE AND PROTEOLYTIC ACTIVITY | | Descriptor: | ASTACIN, COPPER (II) ION | | Authors: | Gomis-Rueth, F.-X, Stoecker, W, Bode, W. | | Deposit date: | 1994-05-09 | | Release date: | 1994-08-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures, spectroscopic features, and catalytic properties of cobalt(II), copper(II), nickel(II), and mercury(II) derivatives of the zinc endopeptidase astacin. A correlation of structure and proteolytic activity.
J.Biol.Chem., 269, 1994
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1IAE
 | | CRYSTAL STRUCTURES, SPECTROSCOPIC FEATURES, AND CATALYTIC PROPERTIES OF COBALT(II), COPPER(II), NICKEL(II), AND MERCURY(II) DERIVATIVES OF THE ZINC ENDOPEPTIDASE ASTACIN. A CORRELATION OF STRUCTURE AND PROTEOLYTIC ACTIVITY | | Descriptor: | ASTACIN, NICKEL (II) ION | | Authors: | Grams, F, Stoecker, W, Bode, W. | | Deposit date: | 1994-05-09 | | Release date: | 1994-08-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystal structures, spectroscopic features, and catalytic properties of cobalt(II), copper(II), nickel(II), and mercury(II) derivatives of the zinc endopeptidase astacin. A correlation of structure and proteolytic activity.
J.Biol.Chem., 269, 1994
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1E8J
 | | SOLUTION STRUCTURE OF DESULFOVIBRIO GIGAS ZINC RUBREDOXIN, NMR, 20 STRUCTURES | | Descriptor: | RUBREDOXIN | | Authors: | Lamosa, P, Brennan, L, Vis, H, Turner, D.L, Santos, H. | | Deposit date: | 2000-09-21 | | Release date: | 2001-10-18 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR structure of Desulfovibrio gigas rubredoxin: a model for studying protein stabilization by compatible solutes.
Extremophiles, 5, 2001
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1DCD
 | | DESULFOREDOXIN COMPLEXED WITH CD2+ | | Descriptor: | CADMIUM ION, PROTEIN (DESULFOREDOXIN) | | Authors: | Archer, M, Carvalho, A.L, Teixeira, S, Romao, M.J. | | Deposit date: | 1999-03-20 | | Release date: | 1999-07-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural studies by X-ray diffraction on metal substituted desulforedoxin, a rubredoxin-type protein.
Protein Sci., 8, 1999
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1J15
 | | BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99/175/190RT | | Descriptor: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | | Authors: | Stubbs, M.T. | | Deposit date: | 2002-11-30 | | Release date: | 2002-12-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-induced Structural Plasticity
J.MOL.BIOL., 325, 2003
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1J16
 | | BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99/175/190RT | | Descriptor: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | | Authors: | Stubbs, M.T. | | Deposit date: | 2002-11-30 | | Release date: | 2002-12-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-induced Structural Plasticity
J.MOL.BIOL., 325, 2003
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1IQH
 | | Human coagulation factor Xa in complex with M55143 | | Descriptor: | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa | | Authors: | Shiromizu, I, Matsusue, T. | | Deposit date: | 2001-07-23 | | Release date: | 2003-09-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
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1J14
 | | BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99RT | | Descriptor: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | | Authors: | Stubbs, M.T. | | Deposit date: | 2002-11-30 | | Release date: | 2002-12-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-induced Structural Plasticity
J.MOL.BIOL., 325, 2003
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1IOE
 | | Human coagulation factor Xa in complex with M55532 | | Descriptor: | (-)-7-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]TETRAHYDRO-8A-(METHOXYMETHYL)-1'-(4-PYRIDINYL)-SPIRO[5H-OXAZOLO[3,2-A]PYRAZINE-2(3H),4'-PIPERIDIN]-5-ONE, CALCIUM ION, COAGULATION FACTOR XA | | Authors: | Shiromizu, I, Matsusue, T. | | Deposit date: | 2001-03-08 | | Release date: | 2003-09-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Factor Xa Specific Inhibitor That Induces the Novel Binding Model In Complex With Human FXa
To be Published
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1FJS
 | | CRYSTAL STRUCTURE OF THE INHIBITOR ZK-807834 (CI-1031) COMPLEXED WITH FACTOR XA | | Descriptor: | CALCIUM ION, CHLORIDE ION, COAGULATION FACTOR XA, ... | | Authors: | Adler, M, Whitlow, M. | | Deposit date: | 2000-08-08 | | Release date: | 2000-10-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Preparation, characterization, and the crystal structure of the inhibitor ZK-807834 (CI-1031) complexed with factor Xa.
Biochemistry, 39, 2000
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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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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: | 2020-07-29 | | 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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1K1O
 | | BOVINE TRYPSIN-INHIBITOR COMPLEX | | Descriptor: | CALCIUM ION, TRYPSIN, {[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID | | Authors: | Stubbs, M.T. | | Deposit date: | 2001-09-25 | | Release date: | 2001-11-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 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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1K22
 | | 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: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.93 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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1K1N
 | | BOVINE TRYPSIN-INHIBITOR COMPLEX | | Descriptor: | CALCIUM ION, TRYPSIN, [N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-PIPERIDINE | | Authors: | Stubbs, M.T. | | Deposit date: | 2001-09-25 | | Release date: | 2001-11-28 | | Last modified: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (2 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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1K1I
 | | BOVINE TRYPSIN-INHIBITOR COMPLEX | | Descriptor: | CALCIUM ION, N-ALPHA-(2-NAPHTHYLSULFONYL)-N-(3-AMIDINO-L-PHENYLALANINYL)-D-PIPECOLINIC ACID, TRYPSIN | | Authors: | Stubbs, M.T. | | Deposit date: | 2001-09-25 | | Release date: | 2001-11-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 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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1K1L
 | | BOVINE TRYPSIN-INHIBITOR COMPLEX | | Descriptor: | CALCIUM ION, N-ALPHA-(2-NAPHTHYLSULFONYL)-3-AMIDINO-L-PHENYLALANINE PIPERAZIDE, SULFATE ION, ... | | Authors: | Stubbs, M.T. | | Deposit date: | 2001-09-25 | | Release date: | 2001-11-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 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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1G6X
 | | ULTRA HIGH RESOLUTION STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) MUTANT WITH ALTERED BINDING LOOP SEQUENCE | | Descriptor: | 1,2-ETHANEDIOL, PANCREATIC TRYPSIN INHIBITOR, SULFATE ION | | Authors: | Addlagatta, A, Czapinska, H, Krzywda, S, Otlewski, J, Jaskolski, M. | | Deposit date: | 2000-11-08 | | Release date: | 2001-05-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (0.86 Å) | | Cite: | Ultrahigh-resolution structure of a BPTI mutant.
Acta Crystallogr.,Sect.D, 57, 2001
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1G65
 | | Crystal structure of epoxomicin:20s proteasome reveals a molecular basis for selectivity of alpha,beta-epoxyketone proteasome inhibitors | | Descriptor: | EPOXOMICIN (peptide inhibitor), MAGNESIUM ION, Proteasome component C1, ... | | Authors: | Groll, M, Kim, K.B, Kairies, N, Huber, R, Crews, C. | | Deposit date: | 2000-11-03 | | Release date: | 2000-11-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal Structure of Epoxomicin:20S Proteasome reveals a molecular basis for selectivity of alpha,beta-Epoxyketone Proteasome Inhibitors
J.Am.Chem.Soc., 122, 2000
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1IQJ
 | | Human coagulation factor Xa in complex with M55124 | | Descriptor: | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER, CALCIUM ION, coagulation Factor Xa | | Authors: | Shiromizu, I, Matsusue, T. | | Deposit date: | 2001-07-23 | | Release date: | 2003-09-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
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1IQE
 | | Human coagulation factor Xa in complex with M55590 | | Descriptor: | 4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-1-OXO-2-[[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]AMINO]PROPYL]-THIOMORPHOLINE-1,1-DIOXIDE, CALCIUM ION, coagulation Factor Xa | | Authors: | Shiromizu, I, Matsusue, T. | | Deposit date: | 2001-07-23 | | Release date: | 2003-09-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
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1IQM
 | | Human coagulation factor Xa in complex with M54471 | | Descriptor: | 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE, CALCIUM ION, coagulation Factor Xa | | Authors: | Shiromizu, I, Matsusue, T. | | Deposit date: | 2001-07-23 | | Release date: | 2003-09-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
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1Y93
 | | Crystal structure of the catalytic domain of human MMP12 complexed with acetohydroxamic acid at atomic resolution | | Descriptor: | ACETOHYDROXAMIC ACID, CALCIUM ION, Macrophage metalloelastase, ... | | Authors: | Bertini, I, Calderone, V, Cosenza, M, Fragai, M, Lee, Y.-M, Luchinat, C, Mangani, S, Terni, B, Turano, P. | | Deposit date: | 2004-12-14 | | Release date: | 2005-04-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Conformational variability of matrix metalloproteinases: Beyond a single 3D structure
Proc.Natl.Acad.Sci.Usa, 102, 2005
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1G41
 | | CRYSTAL STRUCTURE OF HSLU HAEMOPHILUS INFLUENZAE | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEAT SHOCK PROTEIN HSLU, SULFATE ION | | Authors: | Trame, C.B, McKay, D.B. | | Deposit date: | 2000-10-25 | | Release date: | 2000-11-22 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of Haemophilus influenzae HslU protein in crystals with one-dimensional disorder twinning.
Acta Crystallogr.,Sect.D, 57, 2001
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