1CT0
 
 | | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-SER18I IN COMPLEX WITH SGPB | | Descriptor: | OVOMUCOID INHIBITOR, PROTEINASE B | | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-08-18 | | Release date: | 2000-01-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB.
Protein Sci., 9, 2000
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1CHO
 | | CRYSTAL AND MOLECULAR STRUCTURES OF THE COMPLEX OF ALPHA-*CHYMOTRYPSIN WITH ITS INHIBITOR TURKEY OVOMUCOID THIRD DOMAIN AT 1.8 ANGSTROMS RESOLUTION | | Descriptor: | ALPHA-CHYMOTRYPSIN A, TURKEY OVOMUCOID THIRD DOMAIN (OMTKY3) | | Authors: | Fujinaga, M, Sielecki, A.R, Read, R.J, Ardelt, W, Laskowskijunior, M, James, M.N.G. | | Deposit date: | 1988-03-04 | | Release date: | 1988-07-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal and molecular structures of the complex of alpha-chymotrypsin with its inhibitor turkey ovomucoid third domain at 1.8 A resolution.
J.Mol.Biol., 195, 1987
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1DS2
 | | CRYSTAL STRUCTURE OF SGPB:OMTKY3-COO-LEU18I | | Descriptor: | OVOMUCOID, PROTEINASE B (SGPB) | | Authors: | Bateman, K.S, Huang, K, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 2000-01-06 | | Release date: | 2001-01-31 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Contribution of peptide bonds to inhibitor-protease binding: crystal structures of the turkey ovomucoid third domain backbone variants OMTKY3-Pro18I and OMTKY3-psi[COO]-Leu18I in complex with Streptomyces griseus proteinase B (SGPB) and the structure of the free inhibitor, OMTKY-3-psi[CH2NH2+]-Asp19I
J.Mol.Biol., 305, 2001
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1DS3
 | | CRYSTAL STRUCTURE OF OMTKY3-CH2-ASP19I | | Descriptor: | OVOMUCOID | | Authors: | Bateman, K.S, Huang, K, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 2000-01-06 | | Release date: | 2001-01-31 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Contribution of peptide bonds to inhibitor-protease binding: crystal structures of the turkey ovomucoid third domain backbone variants OMTKY3-Pro18I and OMTKY3-psi[COO]-Leu18I in complex with Streptomyces griseus proteinase B (SGPB) and the structure of the free inhibitor, OMTKY-3-psi[CH2NH2+]-Asp19I
J.Mol.Biol., 305, 2001
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1G3C
 | | BOVINE BETA-TRYPSIN BOUND TO PARA-AMIDINO SCHIFF BASE IRON(III) CHELATE | | Descriptor: | 2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID, BETA-TRYPSIN, CALCIUM ION, ... | | Authors: | Toyota, E, Ng, K.K.S, Sekizaki, H, Itoh, K, Tanizawa, K, James, M.N.G. | | Deposit date: | 2000-10-23 | | Release date: | 2001-01-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystallographic analyses of complexes between bovine beta-trypsin and Schiff base copper(II) or iron(III) chelates.
J.Mol.Biol., 305, 2001
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1G3E
 | | BOVINE BETA-TRYPSIN BOUND TO PARA-AMIDINO SCHIFF-BASE COPPER (II) CHELATE | | Descriptor: | 2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID, BETA-TRYPSIN, CALCIUM ION, ... | | Authors: | Toyota, E, Ng, K.K.S, Sekizaki, H, Itoh, K, Tanizawa, K, James, M.N.G. | | Deposit date: | 2000-10-23 | | Release date: | 2001-01-17 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystallographic analyses of complexes between bovine beta-trypsin and Schiff base copper(II) or iron(III) chelates.
J.Mol.Biol., 305, 2001
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1EUC
 | | CRYSTAL STRUCTURE OF DEPHOSPHORYLATED PIG HEART, GTP-SPECIFIC SUCCINYL-COA SYNTHETASE | | Descriptor: | PHOSPHATE ION, SUCCINYL-COA SYNTHETASE, ALPHA CHAIN, ... | | Authors: | Fraser, M.E, James, M.N.G, Bridger, W.A, Wolodko, W.T. | | Deposit date: | 2000-04-14 | | Release date: | 2000-07-27 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Phosphorylated and dephosphorylated structures of pig heart, GTP-specific succinyl-CoA synthetase.
J.Mol.Biol., 299, 2000
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1G3D
 | | BOVINE BETA-TRYPSIN BOUND TO META-AMIDINO SCHIFF BASE COPPER (II) CHELATE | | Descriptor: | 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID, BETA-TRYPSIN, CALCIUM ION, ... | | Authors: | Toyota, E, Ng, K.K.S, Sekizaki, H, Itoh, K, Tanizawa, K, James, M.N.G. | | Deposit date: | 2000-10-23 | | Release date: | 2001-01-17 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystallographic analyses of complexes between bovine beta-trypsin and Schiff base copper(II) or iron(III) chelates.
J.Mol.Biol., 305, 2001
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1G3B
 | | BOVINE BETA-TRYPSIN BOUND TO META-AMIDINO SCHIFF BASE MAGNESIUM(II) CHELATE | | Descriptor: | 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID, BETA-TRYPSIN, CALCIUM ION, ... | | Authors: | Toyota, E, Ng, K.K.S, Sekizaki, H, Itoh, K, Tanizawa, K, James, M.N.G. | | Deposit date: | 2000-10-23 | | Release date: | 2001-01-17 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystallographic analyses of complexes between bovine beta-trypsin and Schiff base copper(II) or iron(III) chelates.
J.Mol.Biol., 305, 2001
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1EAI
 | | COMPLEX OF ASCARIS CHYMOTRPSIN/ELASTASE INHIBITOR WITH PORCINE ELASTASE | | Descriptor: | PROTEIN (CHYMOTRYPSIN/ELASTASE ISOINHIBITOR 1), PROTEIN (ELASTASE) | | Authors: | Huang, K, Strynadka, N.C.J, Bernard, V.D, Peanasky, R.J, James, M.N.G. | | Deposit date: | 1999-03-25 | | Release date: | 1999-04-05 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The molecular structure of the complex of Ascaris chymotrypsin/elastase inhibitor with porcine elastase.
Structure, 2, 1994
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1NHU
 | | Hepatitis C virus RNA polymerase in complex with non-nucleoside analogue inhibitor | | Descriptor: | (2S)-2-[(2,4-DICHLORO-BENZOYL)-(3-TRIFLUOROMETHYL-BENZYL)-AMINO]-3-PHENYL-PROPIONIC ACID, HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE | | Authors: | Wang, M, Ng, K.K.S, Cherney, M.M, Chan, L, Yannopoulos, C.G, Bedard, J, Morin, N, Nguyen-Ba, N, Alaoui-Ismaili, M.H, Bethell, R.C, James, M.N.G. | | Deposit date: | 2002-12-19 | | Release date: | 2003-03-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Non-Nucleoside Analogue Inhibitors Bind to an Allosteric Site on
HCV NS5B Polymerase: Crystal Structures and Mechanism of Inhibition
J.Biol.Chem., 278, 2003
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1NHV
 | | Hepatitis C virus RNA polymerase in complex with non-nucleoside analogue inhibitor | | Descriptor: | (2S)-2-[(5-BENZOFURAN-2-YL-THIOPHEN-2-YLMETHYL)-(2,4-DICHLORO-BENZOYL)-AMINO]-3-PHENYL-PROPIONIC ACID, HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE | | Authors: | Wang, M, Ng, K.K.S, Cherney, M.M, Chan, L, Yannopoulos, C.G, Bedard, J, Morin, N, Nguyen-Ba, N, Alaoui-Ismaili, M.H, Bethell, R.C, James, M.N.G. | | Deposit date: | 2002-12-19 | | Release date: | 2003-03-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Non-Nucleoside Analogue Inhibitors Bind to an Allosteric Site on
HCV NS5B Polymerase: Crystal Structures and Mechanism of Inhibition
J.Biol.Chem., 278, 2003
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1NP0
 | | Human lysosomal beta-hexosaminidase isoform B in complex with intermediate analogue NAG-thiazoline | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, Beta-hexosaminidase subunit beta, ... | | Authors: | Mark, B.L, Mahuran, D.J, Cherney, M.M, Zhao, D, Knapp, S, James, M.N.G. | | Deposit date: | 2003-01-16 | | Release date: | 2003-04-29 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of Human beta-hexosaminidase B: Understanding the molecular basis of Sandhoff and Tay-Sachs disease
J.Mol.Biol., 327, 2003
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1NOW
 | | Human lysosomal beta-hexosaminidase isoform B in complex with (2R,3R,4S,5R)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidinium Chloride (GalNAc-isofagomine) | | Descriptor: | (2R,3R,4S,5R)-2-ACETAMIDO-3,4-DIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Mark, B.L, Mahuran, D.J, Cherney, M.M, Zhao, D, Knapp, S, James, M.N.G. | | Deposit date: | 2003-01-16 | | Release date: | 2003-04-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of Human beta-hexosaminidase B: Understanding the molecular basis of Sandhoff and Tay-Sachs disease
J.Mol.Biol., 327, 2003
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4TYH
 | | Ternary complex of P38 and MK2 with a P38 inhibitor | | Descriptor: | MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide | | Authors: | Cumming, J.G, Debreczeni, J.E, Edfeldt, F, Evertsson, F, Harrison, M, Holdgate, G, James, M, Lamont, S, Oldham, K, Sullivan, J.E, Wells, S. | | Deposit date: | 2014-07-08 | | Release date: | 2015-07-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of substrate selective, ATP-competitive P38 alpha MAP kinase inhibitors
To Be Published
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1NOU
 | | Native human lysosomal beta-hexosaminidase isoform B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ... | | Authors: | Mark, B.L, Mahuran, D.J, Cherney, M.M, Zhao, D, Knapp, S, James, M.N.G. | | Deposit date: | 2003-01-16 | | Release date: | 2003-04-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of Human beta-hexosaminidase B: Understanding the molecular basis of Sandhoff and Tay-Sachs disease
J.Mol.Biol., 327, 2003
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1PJU
 | | Unbound form of Tomato Inhibitor-II | | Descriptor: | SULFATE ION, Wound-induced proteinase inhibitor II | | Authors: | Barrette-Ng, I.H, Ng, K.K.-S, Cherney, M.M, Pearce, G, Ghani, U, Ryan, C.A, James, M.N.G. | | Deposit date: | 2003-06-03 | | Release date: | 2003-09-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Unbound form of tomato inhibitor-II reveals interdomain flexibility and conformational variability in the reactive site loops
J.Biol.Chem., 278, 2003
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1MIQ
 | | Crystal structure of proplasmepsin from the human malarial pathogen Plasmodium vivax | | Descriptor: | plasmepsin | | Authors: | Bernstein, N.K, Cherney, M.M, Yowell, C.A, Dame, J.B, James, M.N. | | Deposit date: | 2002-08-23 | | Release date: | 2002-09-18 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into the activation of P. vivax plasmepsin.
J.Mol.Biol., 329, 2003
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1MBM
 | | NSP4 proteinase from Equine Arteritis Virus | | Descriptor: | chymotrypsin-like serine protease | | Authors: | Barrette-Ng, I.H, Ng, K.K.-S, Mark, B.L, van Aken, D, Cherney, M.M, Garen, C, Kolodenko, Y, Gorbalenya, A.E, Snijder, E.J, James, M.N.G. | | Deposit date: | 2002-08-03 | | Release date: | 2002-10-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Arterivirus nsp4: the smallest chymotrypsin-like proteinase with an alpha/beta C-terminal extension and alternate conformations of the oxyanion hole
J.Biol.Chem., 277, 2002
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1CT2
 | | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-THR18I IN COMPLEX WITH SGPB | | Descriptor: | OVOMUCOID INHIBITOR, PROTEINASE B | | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N. | | Deposit date: | 1999-08-18 | | Release date: | 2000-01-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB.
Protein Sci., 9, 2000
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1MBQ
 | | Anionic Trypsin from Pacific Chum Salmon | | Descriptor: | BENZAMIDINE, CALCIUM ION, Trypsin | | Authors: | Toyota, E, Ng, K.K.S, Kuninaga, S, Sekizaki, H, Itoh, K, Tanizawa, K, James, M.N.G. | | Deposit date: | 2002-08-03 | | Release date: | 2002-12-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure and Nucleotide Sequence of an Anionic Trypsin from Chum Salmon (Oncorhynchus keta) in Comparison with Atlantic Salmon (Salmo salar) and Bovine Trypsin
J.Mol.Biol., 324, 2002
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1JTG
 | | CRYSTAL STRUCTURE OF TEM-1 BETA-LACTAMASE / BETA-LACTAMASE INHIBITOR PROTEIN COMPLEX | | Descriptor: | BETA-LACTAMASE INHIBITORY PROTEIN, BETA-LACTAMASE TEM, CALCIUM ION | | Authors: | Strynadka, N.C.J, Jensen, S.E, Alzari, P.M, James, M.N. | | Deposit date: | 2001-08-20 | | Release date: | 2001-10-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystal structure and kinetic analysis of beta-lactamase inhibitor protein-II in complex with TEM-1 beta-lactamase.
Nat.Struct.Biol., 8, 2001
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1NFP
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