1TON
 
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1U32
 | | Crystal structure of a Protein Phosphatase-1: Calcineurin Hybrid Bound to Okadaic Acid | | Descriptor: | BETA-MERCAPTOETHANOL, MANGANESE (II) ION, OKADAIC ACID, ... | | Authors: | Maynes, J.T, Perreault, K.R, Cherney, M.M, Luu, H.A, James, M.N.G, Holmes, C.F.B. | | Deposit date: | 2004-07-20 | | Release date: | 2004-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure and Mutagenesis of a Protein Phosphatase-1:Calcineurin Hybrid Elucidate the Role of the {beta}12-{beta}13 Loop in Inhibitor Binding
J.Biol.Chem., 279, 2004
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1R4P
 | | Shiga toxin type 2 | | Descriptor: | 1,2-ETHANEDIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, FORMIC ACID, ... | | Authors: | Fraser, M.E, Fujinaga, M, Cherney, M.M, Melton-Celsa, A.R, Twiddy, E.M, O'Brien, A.D, James, M.N.G. | | Deposit date: | 2003-10-07 | | Release date: | 2004-05-11 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structure of Shiga Toxin Type 2 (Stx2) from Escherichia coli O157:H7.
J.Biol.Chem., 279, 2004
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1R4Q
 | | Shiga toxin | | Descriptor: | SHT cytotoxin A subunit, Shigella toxin chain B | | Authors: | Fraser, M.E, Fujinaga, M, Cherney, M.M, Melton-Celsa, A.R, Twiddy, E.M, O'Brien, A.D, James, M.N.G. | | Deposit date: | 2003-10-07 | | Release date: | 2004-05-11 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of Shiga Toxin Type 2 (Stx2) from Escherichia coli O157:H7.
J.Biol.Chem., 279, 2004
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1SCU
 | | THE CRYSTAL STRUCTURE OF SUCCINYL-COA SYNTHETASE FROM ESCHERICHIA COLI AT 2.5 ANGSTROMS RESOLUTION | | Descriptor: | COENZYME A, SUCCINYL-COA SYNTHETASE, ALPHA SUBUNIT, ... | | Authors: | Wolodko, W.T, Fraser, M.E, James, M.N.G, Bridger, W.A. | | Deposit date: | 1993-11-18 | | Release date: | 1995-04-20 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of succinyl-CoA synthetase from Escherichia coli at 2.5-A resolution.
J.Biol.Chem., 269, 1994
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1SGR
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1SGP
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1SGQ
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1SGT
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1TJN
 | | Crystal structure of hypothetical protein af0721 from Archaeoglobus fulgidus | | Descriptor: | Sirohydrochlorin cobaltochelatase | | Authors: | Yin, J, Xu, X.L, Cuff, M, Walker, J.R, Edwards, A, Savchenko, A, James, M.N.G, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-06-06 | | Release date: | 2004-09-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal structure of af0721: a hypothetical protein bearing sequence similarity with class II chelatases in cobalamin synthesis
To be Published
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1BXQ
 | | ACID PROTEINASE (PENICILLOPEPSIN) COMPLEX WITH PHOSPHONATE INHIBITOR. | | Descriptor: | 2-[(1R)-1-(N-(3-METHYLBUTANOYL)-L-VALYL-L-ASPARAGINYL)-AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-PHENYLPROPANOIC ACID METHYLESTER, ACETATE ION, GLYCEROL, ... | | Authors: | Parrish, J.C, Khan, A.R, Fraser, M.E, Smith, W.W, Bartlett, P.A, James, M.N.G. | | Deposit date: | 1998-10-07 | | Release date: | 1998-10-14 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Lowering the entropic barrier for binding conformationally flexible inhibitors to enzymes.
Biochemistry, 37, 1998
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1BXO
 | | ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUT YL] HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL) PHENYLPROPANOATE | | Descriptor: | GLYCEROL, METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL)PHENYLPROPANOATE, PROTEIN (PENICILLOPEPSIN), ... | | Authors: | Khan, A.R, Parrish, J.C, Fraser, M.E, Smith, W.W, Bartlett, P.A, James, M.N.G. | | Deposit date: | 1998-10-07 | | Release date: | 1998-10-14 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Lowering the entropic barrier for binding conformationally flexible inhibitors to enzymes.
Biochemistry, 37, 1998
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1PSO
 | | The crystal structure of human pepsin and its complex with pepstatin | | Descriptor: | PEPSIN 3A, PEPSTATIN | | Authors: | Fujinaga, M, Chernaia, M.M, Tarasova, N, Mosimann, S.C, James, M.N.G. | | Deposit date: | 1995-01-23 | | Release date: | 1995-04-20 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of human pepsin and its complex with pepstatin.
Protein Sci., 4, 1995
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1ONC
 | | THE REFINED 1.7 ANGSTROMS X-RAY CRYSTALLOGRAPHIC STRUCTURE OF P-30, AN AMPHIBIAN RIBONUCLEASE WITH ANTI-TUMOR ACTIVITY | | Descriptor: | P-30 PROTEIN, SULFATE ION | | Authors: | Mosimann, S.C, Ardelt, W, James, M.N.G. | | Deposit date: | 1993-08-30 | | Release date: | 1994-01-31 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Refined 1.7 A X-ray crystallographic structure of P-30 protein, an amphibian ribonuclease with anti-tumor activity.
J.Mol.Biol., 236, 1994
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1QRP
 | | Human pepsin 3A in complex with a phosphonate inhibitor IVA-VAL-VAL-LEU(P)-(O)PHE-ALA-ALA-OME | | Descriptor: | PEPSIN 3A, methyl N-[(2S)-2-({(S)-hydroxy[(1R)-3-methyl-1-{[N-(3-methylbutanoyl)-L-valyl-L-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-L-alanyl-L-alaninate | | Authors: | Fujinaga, M, Cherney, M.M, Tarasova, N.I, Bartlett, P.A, Hanson, J.E, James, M.N.G. | | Deposit date: | 1999-06-15 | | Release date: | 1999-06-18 | | Last modified: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structural study of the complex between human pepsin and a phosphorus-containing peptidic -transition-state analog.
Acta Crystallogr.,Sect.D, 56, 2000
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1PSN
 | | THE CRYSTAL STRUCTURE OF HUMAN PEPSIN AND ITS COMPLEX WITH PEPSTATIN | | Descriptor: | PEPSIN 3A | | Authors: | Fujinaga, M, Chernaia, M.M, Tarasova, N, Mosimann, S.C, James, M.N.G. | | Deposit date: | 1995-01-23 | | Release date: | 1995-04-20 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of human pepsin and its complex with pepstatin.
Protein Sci., 4, 1995
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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: | 2023-08-16 | | 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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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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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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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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4MJ2
 | | Crystal structure of apo-iduronidase in the R3 form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, ... | | Authors: | Bie, H, Yin, J, He, X, Kermode, A.R, Goddard-Borger, E.D, Withers, S.G, James, M.N.G. | | Deposit date: | 2013-09-03 | | Release date: | 2013-09-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Insights into mucopolysaccharidosis I from the structure and action of alpha-L-iduronidase.
Nat.Chem.Biol., 9, 2013
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2QVB
 | | Crystal Structure of Haloalkane Dehalogenase Rv2579 from Mycobacterium tuberculosis | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Haloalkane dehalogenase 3 | | Authors: | Mazumdar, P.A, Hulecki, J, Cherney, M.M, Garen, C.R, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2007-08-08 | | Release date: | 2008-02-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | X-ray crystal structure of Mycobacterium tuberculosis haloalkane dehalogenase Rv2579.
Biochim.Biophys.Acta, 1784, 2008
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3KPK
 | | Crystal structure of sulfide:quinone oxidoreductase from Acidithiobacillus ferrooxidans, C160A mutant | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, HYDROSULFURIC ACID, ... | | Authors: | Cherney, M.M, Zhang, Y, Solomonson, M, Weiner, J.H, James, M.N.G. | | Deposit date: | 2009-11-16 | | Release date: | 2010-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of sulfide:quinone oxidoreductase from Acidithiobacillus ferrooxidans: insights into sulfidotrophic respiration and detoxification.
J.Mol.Biol., 398, 2010
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