2HAL
| An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors | Descriptor: | Hepatitis A Protease 3C, N-ACETYL-LEUCYL-PHENYLALANYL-PHENYLALANYL-GLUTAMATE-FLUOROMETHYLKETONE INHIBITOR, N-[(BENZYLOXY)CARBONYL]-L-ALANINE | Authors: | Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N. | Deposit date: | 2006-06-13 | Release date: | 2006-08-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | An Episulfide Cation (Thiiranium Ring) Trapped in the Active Site of HAV 3C Proteinase Inactivated by Peptide-based Ketone Inhibitors. J.Mol.Biol., 361, 2006
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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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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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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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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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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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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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1QA7
| CRYSTAL COMPLEX OF THE 3C PROTEINASE FROM HEPATITIS A VIRUS WITH ITS INHIBITOR AND IMPLICATIONS FOR THE POLYPROTEIN PROCESSING IN HAV | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, HAV 3C PROTEINASE, ... | Authors: | Bergmann, E.M, Cherney, M.M, Mckendrick, J, Vederas, J.C, James, M.N.G. | Deposit date: | 1999-04-15 | Release date: | 1999-04-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of an inhibitor complex of the 3C proteinase from hepatitis A virus (HAV) and implications for the polyprotein processing in HAV. Virology, 265, 1999
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1PFZ
| PROPLASMEPSIN II FROM PLASMODIUM FALCIPARUM | Descriptor: | GLYCEROL, PROPLASMEPSIN II | Authors: | Bernstein, N.K, Cherney, M.M, Loetscher, H, Ridley, R.G, James, M.N.G. | Deposit date: | 1998-07-07 | Release date: | 1999-01-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of the novel aspartic proteinase zymogen proplasmepsin II from plasmodium falciparum. Nat.Struct.Biol., 6, 1999
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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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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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1Q74
| The Crystal Structure of 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside Deacetylase (MshB) | Descriptor: | 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside Deacetylase (MshB), 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ZINC ION | Authors: | Maynes, J.T, Garen, C, Cherney, M.M, Newton, G, Arad, D, Av-Gay, Y, Fahey, R.C, James, M.N, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2003-08-15 | Release date: | 2003-12-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Crystal Structure of 1-D-myo-Inositol 2-Acetamido-2-deoxy-alpha-D-glucopyranoside Deacetylase (MshB) from Mycobacterium tuberculosis Reveals a Zinc Hydrolase with a Lactate Dehydrogenase Fold. J.Biol.Chem., 278, 2003
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1S2B
| Structure of SCP-B the first member of the Eqolisin family of Peptidases to have its structure determined | Descriptor: | Scytalidopepsin B | Authors: | Fujinaga, M, Cherney, M.M, Oyama, H, Oda, K, James, M.N. | Deposit date: | 2004-01-08 | Release date: | 2004-04-27 | Last modified: | 2011-11-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The molecular structure and catalytic mechanism of a novel carboxyl peptidase from Scytalidium lignicolum Proc.Natl.Acad.Sci.USA, 101, 2004
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1S2K
| Structure of SCP-B a member of the Eqolisin family of Peptidases in a complex with a Tripeptide Ala-Ile-His | Descriptor: | Ala-Ile-His tripeptide, Scytalidopepsin B, TYROSINE | Authors: | Fujinaga, M, Cherney, M.M, Oyama, H, Oda, K, James, M.N. | Deposit date: | 2004-01-08 | Release date: | 2004-04-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The molecular structure and catalytic mechanism of a novel carboxyl peptidase from Scytalidium lignicolum Proc.Natl.Acad.Sci.USA, 101, 2004
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1QS8
| Crystal structure of the P. vivax aspartic proteinase plasmepsin complexed with the inhibitor pepstatin A | Descriptor: | ACETATE ION, PEPSTATIN A, PLASMEPSIN | Authors: | Khazanovich Bernstein, N, Cherney, M.M, Yowell, C.A, Dame, J.B, James, M.N.G. | Deposit date: | 1999-06-25 | Release date: | 1999-07-07 | Last modified: | 2013-02-27 | 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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1OYV
| Crystal structure of tomato inhibitor-II in a ternary complex with subtilisin Carlsberg | Descriptor: | CALCIUM ION, Subtilisin Carlsberg, Wound-induced proteinase inhibitor-II | Authors: | Barrette-Ng, I.H, Ng, K.K, Cherney, M.M, Pearce, G, Ryan, C.A, James, M.N. | Deposit date: | 2003-04-07 | Release date: | 2003-07-15 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of inhibition revealed by a 1:2 complex of the two-headed tomato inhibitor-II and subtilisin Carlsberg J.Biol.Chem., 278, 2003
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2H6M
| An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors | Descriptor: | N-ACETYL-LEUCYL-ALANYL-ALANYL-(N,N-DIMETHYL)-GLUTAMINE-(1,4-DIOXO-3,4-DIHYDRO-1H-PHTHALAZIN-2-YL)METHYLKETONE INHIBITOR, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, Picornain 3C | Authors: | Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N. | Deposit date: | 2006-05-31 | Release date: | 2006-08-08 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors. J.Mol.Biol., 361, 2006
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2H9H
| An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors | Descriptor: | Hepatitis A virus protease 3C, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, Three residue peptide | Authors: | Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N. | Deposit date: | 2006-06-09 | Release date: | 2006-08-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | An Episulfide Cation (Thiiranium Ring) Trapped in the Active Site of HAV 3C Proteinase Inactivated by Peptide-based Ketone Inhibitors. J.Mol.Biol., 361, 2006
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1YU6
| Crystal Structure of the Subtilisin Carlsberg:OMTKY3 Complex | Descriptor: | CALCIUM ION, Ovomucoid, Subtilisin Carlsberg | Authors: | Maynes, J.T, Cherney, M.M, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | Deposit date: | 2005-02-11 | Release date: | 2005-05-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure of the subtilisin Carlsberg-OMTKY3 complex reveals two different ovomucoid conformations. Acta Crystallogr.,Sect.D, 61, 2005
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1Y0H
| Structure of Rv0793 from Mycobacterium tuberculosis | Descriptor: | ACETATE ION, hypothetical protein Rv0793 | Authors: | Lemieux, M.J, Ference, C, Cherney, M.M, Wang, M, Garen, C, James, M.N, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2004-11-15 | Release date: | 2004-12-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The crystal structure of Rv0793, a hypothetical monooxygenase from M. tuberculosis J.STRUCT.FUNCT.GENOM., 6, 2005
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1Y30
| X-ray crystal structure of mycobacterium tuberculosis pyridoxine 5'-phosphate oxidase complexed with flavin mononucleotide at 2.2 a resolution | Descriptor: | FLAVIN MONONUCLEOTIDE, hypothetical protein Rv1155 | Authors: | Biswal, B.K, Cherney, M.M, Wang, M, Garen, C, James, M.N, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2004-11-23 | Release date: | 2005-08-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of Mycobacterium tuberculosispyridoxine 5'-phosphate oxidase and its complexes with flavin mononucleotide and pyridoxal 5'-phosphate. Acta Crystallogr.,Sect.D, 61, 2005
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2AQ6
| X-ray crystal structure of mycobacterium tuberculosis pyridoxine 5'-phosphate oxidase complexed with pyridoxal 5'-phosphate at 1.7 a resolution | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, PYRIDOXINE 5'-PHOSPHATE OXIDASE | Authors: | Biswal, B.K, Cherney, M.M, Wang, M, Garen, C, James, M.N, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2005-08-17 | Release date: | 2005-08-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of Mycobacterium tuberculosispyridoxine 5'-phosphate oxidase and its complexes with flavin mononucleotide and pyridoxal 5'-phosphate. Acta Crystallogr.,Sect.D, 61, 2005
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2A4O
| Dual modes of modification of Hepatitis A virus 3C protease by a serine derived beta-lactone: selective crytstallization and high resolution structure of the His102 adduct | Descriptor: | ACETYL GROUP, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, PHENYLALANINE AMIDE, ... | Authors: | Yin, J, Bergmann, E.M, Cherney, M.M, Lall, M.S, Jain, R.P, Vederas, J.C, James, M.N.G. | Deposit date: | 2005-06-29 | Release date: | 2005-12-27 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Dual Modes of Modification of Hepatitis A Virus 3C Protease by a Serine-derived beta-Lactone: Selective Crystallization and Formation of a Functional Catalytic Triad in the Active Site J.MOL.BIOL., 354, 2005
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2A5I
| Crystal structures of SARS coronavirus main peptidase inhibited by an aza-peptide epoxide in the space group C2 | Descriptor: | (5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE, 1,2-ETHANEDIOL, 3C-like peptidase, ... | Authors: | Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N. | Deposit date: | 2005-06-30 | Release date: | 2005-10-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal Structures of the Main Peptidase from the SARS Coronavirus Inhibited by a Substrate-like Aza-peptide Epoxide J.Mol.Biol., 353, 2005
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