1FCK
 
 | | STRUCTURE OF DICERIC HUMAN LACTOFERRIN | | Descriptor: | CARBONATE ION, CERIUM (III) ION, LACTOFERRIN | | Authors: | Baker, H.M, Baker, C.J, Smith, C.A, Baker, E.N. | | Deposit date: | 2000-07-18 | | Release date: | 2001-01-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Metal substitution in transferrins: specific binding of cerium(IV) revealed by the crystal structure of cerium-substituted human lactoferrin.
J.Biol.Inorg.Chem., 5, 2000
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6OTW
 | | Crystallographic Structure of (HbII-HbIII)-O2 from Lucina pectinata at pH 5.0 | | Descriptor: | Hemoglobin II, Hemoglobin III, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Marchany-Rivera, D, Smith, C.A, Rodriguez-Perez, J.D, Lopez-Garriga, J. | | Deposit date: | 2019-05-03 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.447 Å) | | Cite: | Lucina pectinata oxyhemoglobin (II-III) heterodimer pH susceptibility.
J.Inorg.Biochem., 207, 2020
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6OTY
 | | Crystallographic Structure of (HbII-HbIII)-O2 from Lucina pectinata at pH 4.0 | | Descriptor: | Hemoglobin II, Hemoglobin III, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Marchany-Rivera, D, Smith, C.A, Rodriguez-Perez, J.D, Lopez-Garriga, J. | | Deposit date: | 2019-05-03 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.598 Å) | | Cite: | Lucina pectinata oxyhemoglobin (II-III) heterodimer pH susceptibility.
J.Inorg.Biochem., 207, 2020
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6OTX
 | | Crystallographic Structure of (HbII-HbIII)-O2 from Lucina pectinata at pH 7.0 | | Descriptor: | Hemoglobin II, Hemoglobin III, OXYGEN MOLECULE, ... | | Authors: | Marchany-Rivera, D, Smith, C.A, Rodriguez-Perez, J.D, Lopez-Garriga, J. | | Deposit date: | 2019-05-03 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.539 Å) | | Cite: | Lucina pectinata oxyhemoglobin (II-III) heterodimer pH susceptibility.
J.Inorg.Biochem., 207, 2020
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3EB5
 | | Structure of the cIAP2 RING domain | | Descriptor: | Baculoviral IAP repeat-containing protein 3, SODIUM ION, ZINC ION | | Authors: | Mace, P.D, Linke, K, Smith, C.A, Day, C.L. | | Deposit date: | 2008-08-27 | | Release date: | 2008-09-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of the cIAP2 RING domain reveal conformational changes associated with ubiquitin-conjugating enzyme (E2) recruitment.
J.Biol.Chem., 283, 2008
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3NI9
 | | GES-2 carbapenemase apo form | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase GES-2 | | Authors: | Frase, H, Smith, C.A, Toth, M, Vakulenko, S.B. | | Deposit date: | 2010-06-15 | | Release date: | 2011-02-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Kinetic and structural requirements for carbapenemase activity in GES-type beta-lactamases.
Biochemistry, 54, 2015
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3HAV
 | | Structure of the streptomycin-ATP-APH(2")-IIa ternary complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Aminoglycoside phosphotransferase, MAGNESIUM ION, ... | | Authors: | Young, P.G, Baker, E.N, Vakulenko, S.B, Smith, C.A. | | Deposit date: | 2009-05-02 | | Release date: | 2009-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | The crystal structures of substrate and nucleotide complexes of Enterococcus faecium aminoglycoside-2''-phosphotransferase-IIa [APH(2'')-IIa] provide insights into substrate selectivity in the APH(2'') subfamily.
J.Bacteriol., 191, 2009
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3EB6
 | | Structure of the cIAP2 RING domain bound to UbcH5b | | Descriptor: | Baculoviral IAP repeat-containing protein 3, Ubiquitin-conjugating enzyme E2 D2, ZINC ION | | Authors: | Mace, P.D, Linke, K, Schumacher, F.-R, Smith, C.A, Day, C.L. | | Deposit date: | 2008-08-27 | | Release date: | 2008-09-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structures of the cIAP2 RING Domain Reveal Conformational Changes Associated with Ubiquitin-conjugating Enzyme (E2) Recruitment.
J.Biol.Chem., 283, 2008
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3NIA
 | | GES-2 carbapenemase tazobactam complex | | Descriptor: | (3S)-3-(dihydroxy-lambda~4~-sulfanyl)-4-(1H-1,2,3-triazol-1-yl)-D-valine, Beta-lactamase GES-2, TAZOBACTAM INTERMEDIATE | | Authors: | Frase, H, Smith, C.A, Toth, M, Vakulenko, S.B. | | Deposit date: | 2010-06-15 | | Release date: | 2011-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Inhibition of the GES-2 beta-Lactamse by Tazobactam: Detection of Reaction
Intermediates by UV and Mass Spectrometry and X-Ray Crystallography
To be Published
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3HAM
 | | Structure of the gentamicin-APH(2")-IIa complex | | Descriptor: | (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, Aminoglycoside phosphotransferase, GLYCEROL | | Authors: | Young, P.G, Baker, E.N, Vakulenko, S.B, Smith, C.A. | | Deposit date: | 2009-05-02 | | Release date: | 2009-07-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structures of substrate and nucleotide complexes of Enterococcus faecium aminoglycoside-2''-phosphotransferase-IIa [APH(2'')-IIa] provide insights into substrate selectivity in the APH(2'') subfamily.
J.Bacteriol., 191, 2009
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1YK3
 | | Crystal structure of Rv1347c from Mycobacterium tuberculosis | | Descriptor: | Hypothetical protein Rv1347c/MT1389, octyl beta-D-glucopyranoside | | Authors: | Card, G.L, Peterson, N.A, Smith, C.A, Rupp, B, Schick, B.M, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2005-01-16 | | Release date: | 2005-02-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of Rv1347c, a putative antibiotic resistance protein from Mycobacterium tuberculosis, reveals a GCN5-related fold and suggests an alternative function in siderophore biosynthesis
J.Biol.Chem., 280, 2005
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2VOR
 | | Crystal Structures of Mycobacterium tuberculosis Folylpolyglutamate Synthase Complexed with ADP and AMPPCP | | Descriptor: | COBALT (II) ION, FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC, GLYCEROL, ... | | Authors: | Young, P.G, Baker, E.N, Metcalf, P, Smith, C.A. | | Deposit date: | 2008-02-19 | | Release date: | 2008-07-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of Mycobacterium Tuberculosisfolylpolyglutamate Synthase Complexed with Adp and Amppcp.
Acta Crystallogr.,Sect.D, 64, 2008
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2VOS
 | | Mycobacterium tuberculosis Folylpolyglutamate synthase complexed with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, COBALT (II) ION, FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC, ... | | Authors: | Young, P.G, Baker, E.N, Metcalf, P, Smith, C.A. | | Deposit date: | 2008-02-19 | | Release date: | 2008-07-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of Mycobacterium Tuberculosisfolylpolyglutamate Synthase Complexed with Adp and Amppcp.
Acta Crystallogr.,Sect.D, 64, 2008
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2VJE
 | | Crystal Structure of the MDM2-MDMX RING Domain Heterodimer | | Descriptor: | CITRATE ANION, E3 UBIQUITIN-PROTEIN LIGASE MDM2, MDM4 PROTEIN, ... | | Authors: | Mace, P.D, Linke, K, Smith, C.A, Day, C.L. | | Deposit date: | 2007-12-10 | | Release date: | 2008-05-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the MDM2/MDMX RING domain heterodimer reveals dimerization is required for their ubiquitylation in trans.
Cell Death Differ., 15, 2008
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2VJF
 | | Crystal Structure of the MDM2-MDMX RING Domain Heterodimer | | Descriptor: | CITRATE ANION, E3 UBIQUITIN-PROTEIN LIGASE MDM2, MDM4 PROTEIN, ... | | Authors: | Mace, P.D, Linke, K, Smith, C.A, Day, C.L. | | Deposit date: | 2007-12-10 | | Release date: | 2008-05-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the Mdm2/Mdmx Ring Domain Heterodimer Reveals Dimerization is Required for Their Ubiquitylation in Trans.
Cell Death Differ., 15, 2008
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2Q9V
 | | Crystal structure of the C890S mutant of the 4th PDZ domain of human membrane associated guanylate kinase | | Descriptor: | Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 | | Authors: | Pilka, E.S, Hozjan, V, Kavanagh, K.L, Papagrigoriou, E, Cooper, C, Elkins, J.M, Doyle, D.A, von Delft, F, Sundstrom, M, Arrowsmith, C.A, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-06-14 | | Release date: | 2007-06-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the C890S mutant of the 4th PDZ domain of human membrane associated guanylate kinase.
To be Published
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2PN8
 | | Crystal structure of human peroxiredoxin 4 (thioredoxin peroxidase) | | Descriptor: | Peroxiredoxin-4 | | Authors: | Pilka, E.S, Kavanagh, K.L, Cooper, C, von Delft, F, Sundstrom, M, Arrowsmith, C.A, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-04-24 | | Release date: | 2007-05-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of human peroxiredoxin 4 (thioredoxin peroxidase).
To be Published
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3LEZ
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5RSJ
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000089254160_N3 | | Descriptor: | 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-amine, Non-structural protein 3 | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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5RT0
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002582714 | | Descriptor: | 6-methyl-1H-indole-2-carboxylic acid, Non-structural protein 3 | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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5RTH
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000156863 | | Descriptor: | 3-chlorobenzoate, Non-structural protein 3 | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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5RTZ
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000404062 | | Descriptor: | 3-FLUORO-4-HYDROXYBENZOIC ACID, Non-structural protein 3 | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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5RUF
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000016989831 | | Descriptor: | 6-chloro-1,3-benzothiazol-2-amine, Non-structural protein 3 | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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5RUV
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000019015194 | | Descriptor: | 1-(pyridin-2-yl)-1,4-diazepane, Non-structural protein 3 | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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5RVB
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000014419577 | | Descriptor: | 2-aminopteridine-4,7(3H,8H)-dione, Non-structural protein 3 | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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