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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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: | 2023-08-16 | | 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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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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2REN
 | | STRUCTURE OF RECOMBINANT HUMAN RENIN, A TARGET FOR CARDIOVASCULAR-ACTIVE DRUGS, AT 2.5 ANGSTROMS RESOLUTION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, RENIN | | Authors: | Sielecki, A.R, James, M.N.G. | | Deposit date: | 1992-02-05 | | Release date: | 1994-01-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of recombinant human renin, a target for cardiovascular-active drugs, at 2.5 A resolution.
Science, 243, 1989
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1HTR
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1L1N
 | | POLIOVIRUS 3C PROTEINASE | | Descriptor: | Genome polyprotein: Picornain 3C | | Authors: | Mosimann, S.C, Chernaia, M.M, Sia, S, Plotch, S, James, M.N.G. | | Deposit date: | 2002-02-19 | | Release date: | 2002-04-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Refined X-ray crystallographic structure of the poliovirus 3C gene product.
J.Mol.Biol., 273, 1997
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1K2I
 | | Crystal Structure of Gamma-Chymotrypsin in Complex with 7-Hydroxycoumarin | | Descriptor: | 2,4-DIHYDROXY-TRANS CINNAMIC ACID, CHYMOTRYPSINOGEN A, SULFATE ION | | Authors: | Ghani, U, Ng, K.K.S, Atta-ur-Rahman, Choudhary, M.I, Ullah, N, James, M.N.G. | | Deposit date: | 2001-09-27 | | Release date: | 2001-12-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of gamma-chymotrypsin in complex with 7-hydroxycoumarin.
J.Mol.Biol., 314, 2001
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1M04
 | | Mutant Streptomyces plicatus beta-hexosaminidase (D313N) in complex with product (GlcNAc) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ... | | Authors: | Williams, S.J, Mark, B.L, Vocadlo, D.J, James, M.N.G, Withers, S.G. | | Deposit date: | 2002-06-11 | | Release date: | 2002-12-11 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Aspartate 313 in the Streptomyces plicatus hexosaminidase plays a critical
role in substrate-assisted catalysis by orienting the 2-acetamido group
and stabilizing the transition state.
J.Biol.Chem., 277, 2002
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1M03
 | | Mutant Streptomyces plicatus beta-hexosaminidase (D313A) in complex with product (GlcNAc) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ... | | Authors: | Williams, S.J, Mark, B.L, Vocadlo, D.J, James, M.N.G, Withers, S.G. | | Deposit date: | 2002-06-11 | | Release date: | 2002-12-11 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Aspartate 313 in the Streptomyces plicatus hexosaminidase plays a critical
role in substrate-assisted catalysis by orienting the 2-acetamido group
and stabilizing the transition state.
J.Biol.Chem., 277, 2002
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1M01
 | | Wildtype Streptomyces plicatus beta-hexosaminidase in complex with product (GlcNAc) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ... | | Authors: | J Williams, S, Mark, B.L, Vocadlo, D.J, James, M.N.G, Withers, S.G. | | Deposit date: | 2002-06-11 | | Release date: | 2003-01-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Aspartate 313 in the Streptomyces plicatus hexosaminidase plays a critical
role in substrate-assisted catalysis by orienting the 2-acetamido group
and stabilizing the transition state.
J.Biol.Chem., 277, 2002
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1HAV
 | | HEPATITIS A VIRUS 3C PROTEINASE | | Descriptor: | CHLORIDE ION, HEPATITIS A VIRUS 3C PROTEINASE | | Authors: | Bergmann, E.M, James, M.N.G. | | Deposit date: | 1996-10-23 | | Release date: | 1996-12-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The refined crystal structure of the 3C gene product from hepatitis A virus: specific proteinase activity and RNA recognition.
J.Virol., 71, 1997
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2P2G
 | | Crystal Structure of Ornithine Carbamoyltransferase from Mycobacterium Tuberculosis (Rv1656): Orthorhombic Form | | Descriptor: | Ornithine carbamoyltransferase, SULFATE ION | | Authors: | Sankaranarayanan, R, Cherney, M.M, Cherney, L.T, Garen, C, Moradian, F, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2007-03-07 | | Release date: | 2007-07-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The crystal structures of ornithine carbamoyltransferase from Mycobacterium tuberculosis and its ternary complex with carbamoyl phosphate and L-norvaline reveal the enzyme's catalytic mechanism.
J.Mol.Biol., 375, 2008
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2NQT
 | | Crystal structure of N-Acetyl-gamma-Glutamyl-Phosphate Reductase (Rv1652) from Mycobacterium tuberculosis at 1.58 A resolution | | Descriptor: | N-acetyl-gamma-glutamyl-phosphate reductase | | Authors: | Cherney, L.T, Cherney, M.M, Garen, C.R, Moraidin, F, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2006-10-31 | | Release date: | 2006-11-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal Structure of N-acetyl-gamma-glutamyl-phosphate Reductase from Mycobacterium tuberculosis in Complex with NADP(+).
J.Mol.Biol., 367, 2007
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2QAA
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2QA9
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2GKR
 | | Crystal structure of the N-terminally truncated OMTKY3-del(1-5) | | Descriptor: | CHLORIDE ION, Ovomucoid | | Authors: | Lee, T.W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 2006-04-03 | | Release date: | 2007-02-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Structural Insights into the Non-additivity Effects in the Sequence-to-Reactivity Algorithm for Serine Peptidases and their Inhibitors.
J.Mol.Biol., 367, 2007
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2I6U
 | | Crystal Structure of Ornithine Carbamoyltransferase complexed with Carbamoyl Phosphate and L-Norvaline from Mycobacterium tuberculosis (Rv1656) at 2.2 A | | Descriptor: | NORVALINE, Ornithine carbamoyltransferase, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ... | | Authors: | Sankaranarayanan, R, Moradian, F, Cherney, L.T, Garen, C, Cherney, M.M, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2006-08-29 | | Release date: | 2007-06-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structures of ornithine carbamoyltransferase from Mycobacterium tuberculosis and its ternary complex with carbamoyl phosphate and L-norvaline reveal the enzyme's catalytic mechanism
J.Mol.Biol., 375, 2008
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2HRV
 | | 2A CYSTEINE PROTEINASE FROM HUMAN RHINOVIRUS 2 | | Descriptor: | 2A CYSTEINE PROTEINASE, ZINC ION | | Authors: | Petersen, J.F.W, Cherney, M.M, Liebig, H.-D, Skern, T, Kuechler, E, James, M.N.G. | | Deposit date: | 1999-04-29 | | Release date: | 2000-05-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The structure of the 2A proteinase from a common cold virus: a proteinase responsible for the shut-off of host-cell protein synthesis.
EMBO J., 18, 1999
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2GKV
 | | Crystal structure of the SGPB:P14'-Ala32 OMTKY3-del(1-5) complex | | Descriptor: | Ovomucoid, Streptogrisin B | | Authors: | Lee, T.W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 2006-04-03 | | Release date: | 2007-02-13 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Insights into the Non-additivity Effects in the Sequence-to-Reactivity Algorithm for Serine Peptidases and their Inhibitors.
J.Mol.Biol., 367, 2007
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2GKT
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1RTP
 | | REFINED X-RAY STRUCTURE OF RAT PARVALBUMIN, A MAMMALIAN ALPHA-LINEAGE PARVALBUMIN, AT 2.0 A RESOLUTION | | Descriptor: | ALPHA-PARVALBUMIN, CALCIUM ION | | Authors: | Mcphalen, C.A, Sielecki, A.R, Santarsiero, B.D, James, M.N.G. | | Deposit date: | 1993-05-14 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Refined crystal structure of rat parvalbumin, a mammalian alpha-lineage parvalbumin, at 2.0 A resolution.
J.Mol.Biol., 235, 1994
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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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1FUJ
 | | PR3 (MYELOBLASTIN) | | Descriptor: | PR3, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Fujinaga, M, Chernaia, M.M, Halenbeck, R, Koths, K, James, M.N.G. | | Deposit date: | 1996-01-25 | | Release date: | 1996-07-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of PR3, a neutrophil serine proteinase antigen of Wegener's granulomatosis antibodies.
J.Mol.Biol., 261, 1996
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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: | 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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