3T2Y
| Crystal structure of sulfide:quinone oxidoreductase His132Ala variant from Acidithiobacillus ferrooxidans with bound disulfide | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, HYDROSULFURIC ACID, ... | Authors: | Cherney, M.M, Zhang, Y, James, M.N.G, Weiner, J.H. | Deposit date: | 2011-07-23 | Release date: | 2012-05-16 | Last modified: | 2012-06-13 | Method: | X-RAY DIFFRACTION (2.5001 Å) | Cite: | Structure-activity characterization of sulfide:quinone oxidoreductase variants. J.Struct.Biol., 178, 2012
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3T14
| Crystal structure of sulfide:quinone oxidoreductase Cys128Ala variant from Acidithiobacillus ferrooxidans with bound disulfide | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, HYDROSULFURIC ACID, ... | Authors: | Cherney, M.M, Zhang, Y, James, M.N.G, Weiner, J.H. | Deposit date: | 2011-07-21 | Release date: | 2012-05-16 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structure-activity characterization of sulfide:quinone oxidoreductase variants. J.Struct.Biol., 178, 2012
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2GT7
| Crystal structure of SARS coronavirus main peptidase at pH 6.0 in the space group P21 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3C-like proteinase | Authors: | Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N.G. | Deposit date: | 2006-04-27 | Release date: | 2006-12-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal Structures Reveal an Induced-fit Binding of a Substrate-like Aza-peptide Epoxide to SARS Coronavirus Main Peptidase. J.Mol.Biol., 366, 2007
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2CI2
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2GT8
| Crystal structure of SARS coronavirus main peptidase (with an additional Ala at the N-terminus of each protomer) in the space group P43212 | Descriptor: | 3C-like proteinase | Authors: | Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N.G. | Deposit date: | 2006-04-27 | Release date: | 2006-12-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures Reveal an Induced-fit Binding of a Substrate-like Aza-peptide Epoxide to SARS Coronavirus Main Peptidase. J.Mol.Biol., 366, 2007
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3LMY
| The Crystal Structure of beta-hexosaminidase B in complex with Pyrimethamine | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bateman, K.S, Cherney, M.M, Withers, S.G, Mahuran, D.J, Tropak, M, James, M.N.G. | Deposit date: | 2010-02-01 | Release date: | 2011-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Crystal Structure of beta-hexosaminidase B in complex with Pyrimethamine To be Published
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3AAX
| Crystal structure of probable thiosulfate sulfurtransferase cysa3 (RV3117) from Mycobacterium tuberculosis: monoclinic FORM | Descriptor: | Putative thiosulfate sulfurtransferase | Authors: | Sankaranarayanan, R, Witholt, S.J, Cherney, M.M, Garen, C.R, Cherney, L.T, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2009-11-28 | Release date: | 2009-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of probable thiosulfate sulfurtransferase CysA3 (Rv3117) from Mycobacterium tuberculosis To be Published
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3AAY
| Crystal structure of probable thiosulfate sulfurtransferase CYSA3 (RV3117) from Mycobacterium tuberculosis: orthorhombic form | Descriptor: | GLYCEROL, Putative thiosulfate sulfurtransferase, SULFATE ION | Authors: | Sankaranarayanan, R, Witholt, S.J, Cherney, M.M, Garen, C.R, Cherney, L.T, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2009-11-28 | Release date: | 2009-12-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of probable thiosulfate sulfurtransferase CysA3 (Rv3117) from Mycobacterium tuberculosis To be Published
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3GMU
| Crystal Structure of Beta-Lactamse Inhibitory Protein (BLIP) in Apo Form | Descriptor: | AMMONIUM ION, Beta-lactamase inhibitory protein, SULFATE ION | Authors: | Strynadka, N.C.J, Gretes, M, James, M.N.G. | Deposit date: | 2009-03-15 | Release date: | 2009-03-31 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Insights into positive and negative requirements for protein-protein interactions by crystallographic analysis of the beta-lactamase inhibitory proteins BLIP, BLIP-I, and BLP. J.Mol.Biol., 389, 2009
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1PPL
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1PPM
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2ALP
| REFINED STRUCTURE OF ALPHA-LYTIC PROTEASE AT 1.7 ANGSTROMS RESOLUTION. ANALYSIS OF HYDROGEN BONDING AND SOLVENT STRUCTURE | Descriptor: | ALPHA-LYTIC PROTEASE, SULFATE ION | Authors: | Fujinaga, M, Delbaere, L.T.J, Brayer, G.D, James, M.N.G. | Deposit date: | 1985-03-07 | Release date: | 1985-07-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Refined structure of alpha-lytic protease at 1.7 A resolution. Analysis of hydrogen bonding and solvent structure. J.Mol.Biol., 184, 1985
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1PPK
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2SCU
| A detailed description of the structure of Succinyl-COA synthetase from Escherichia coli | Descriptor: | COENZYME A, PROTEIN (SUCCINYL-COA LIGASE), SULFATE ION | Authors: | Fraser, M.E, Wolodko, W.T, James, M.N.G, Bridger, W.A. | Deposit date: | 1998-09-24 | Release date: | 1999-08-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A detailed structural description of Escherichia coli succinyl-CoA synthetase. J.Mol.Biol., 285, 1999
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2SGQ
| GLN 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 6.5 | Descriptor: | Ovomucoid, PHOSPHATE ION, Streptogrisin B | Authors: | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | Deposit date: | 1999-03-25 | Release date: | 2003-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pH's To be Published
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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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2SGF
| PHE 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B | Descriptor: | Ovomucoid, PHOSPHATE ION, Streptogrisin B | Authors: | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | Deposit date: | 1999-03-25 | Release date: | 2003-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pHs To be Published
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2SGD
| ASP 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 10.7 | Descriptor: | Ovomucoid, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | Deposit date: | 1999-03-25 | Release date: | 2003-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pHs To be Published
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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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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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4MJ4
| Human iduronidase apo structure P21 form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, CHLORIDE ION, ... | 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: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.172 Å) | Cite: | Insights into mucopolysaccharidosis I from the structure and action of alpha-L-iduronidase. Nat.Chem.Biol., 9, 2013
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9LYZ
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1HJA
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4YXH
| Crystal structure of Deer prion protein complexed with POM1 FAB | Descriptor: | Major prion protein, POM1 FAB HEAVY CHAIN, POM1 FAB LIGHT CHAIN, ... | Authors: | Baral, P.K, Swayampakula, M, James, M.N.G. | Deposit date: | 2015-03-23 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | X-ray structural and molecular dynamical studies of the globular domains of cow, deer, elk and Syrian hamster prion proteins. J.Struct.Biol., 192, 2015
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4YXK
| Crystal structure of Elk prion protein complexed with POM1 FAB | Descriptor: | Major prion protein, POM1 FAB HEAVY CHAIN, POM1 FAB LIGHT CHAIN, ... | Authors: | Baral, P.K, Swayampakula, M, James, M.N.G. | Deposit date: | 2015-03-23 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.805 Å) | Cite: | X-ray structural and molecular dynamical studies of the globular domains of cow, deer, elk and Syrian hamster prion proteins. J.Struct.Biol., 192, 2015
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