6X27
 
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6X1M
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4CJD
 | | Crystal structure of Neisseria meningitidis trimeric autotransporter and vaccine antigen NadA | | Descriptor: | IODIDE ION, NADA | | Authors: | Malito, E, Biancucci, M, Spraggon, G, Bottomley, M.J. | | Deposit date: | 2013-12-19 | | Release date: | 2014-11-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.056 Å) | | Cite: | Structure of the Meningococcal Vaccine Antigen Nada and Epitope Mapping of a Bactericidal Antibody.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5FEQ
 | | EGFR KINASE DOMAIN IN COMPLEX WITH A COVALENT AMINOBENZIMIDAZOLE | | Descriptor: | Epidermal growth factor receptor, ~{N}-[1-[(3~{R})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide | | Authors: | DiDonato, M, Spraggon, G. | | Deposit date: | 2015-12-17 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
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8SVE
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6UIP
 | | DYRK1A Kinase Domain in Complex with a 6-azaindole Derivative, GNF2133. | | Descriptor: | 4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | DiDonato, M, Spraggon, G. | | Deposit date: | 2019-10-01 | | Release date: | 2020-03-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133.
J.Med.Chem., 63, 2020
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5FED
 | | EGFR kinase domain in complex with a covalent aminobenzimidazole inhibitor. | | Descriptor: | Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide | | Authors: | DiDonato, M, Spraggon, G. | | Deposit date: | 2015-12-16 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.651 Å) | | Cite: | Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
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5FEE
 | | EGFR kinase domain T790M mutant in complex with a covalent aminobenzimidazole inhibitor. | | Descriptor: | Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide | | Authors: | DiDonato, M, Spraggon, G. | | Deposit date: | 2015-12-16 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
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4BIH
 | | Crystal structure of the conserved staphylococcal antigen 1A, Csa1A | | Descriptor: | CALCIUM ION, UNCHARACTERIZED LIPOPROTEIN SAOUHSC_00053 | | Authors: | Malito, E, Bottomley, M.J, Spraggon, G, Schluepen, C, Liberatori, S. | | Deposit date: | 2013-04-10 | | Release date: | 2013-08-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.459 Å) | | Cite: | Mining the Bacterial Unknown Proteome: Identification and Characterization of a Novel Family of Highly Conserved Protective Antigens in Staphylococcus Aureus
Biochem.J., 455, 2013
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4B8Y
 | | Ferrichrome-bound FhuD2 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FE (III) ION, ... | | Authors: | Malito, E, Bottomley, M.J, Spraggon, G. | | Deposit date: | 2012-08-31 | | Release date: | 2012-11-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Functional Characterization of the Staphylococcus Aureus Virulence Factor and Vaccine Candidate Fhud2.
Biochem.J., 449, 2013
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3L4B
 | | Crystal Structure of an Octomeric Two-Subunit TrkA K+ Channel Ring Gating Assembly, TM1088A:TM1088B, from Thermotoga maritima | | Descriptor: | ADENOSINE MONOPHOSPHATE, TrkA K+ Channel protein TM1088A, TrkA K+ Channel protein TM1088B, ... | | Authors: | Deller, M.C, Johnson, H.A, Miller, M, Spraggon, G, Wilson, I.A, Lesley, S.A, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2009-12-18 | | Release date: | 2010-02-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Crystal Structure of an Octomeric Two-Subunit TrkA K+ Channel Ring Gating Assembly, TM1088A:TM1088B, from Thermotoga maritima
To be Published
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6BI2
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6BHZ
 | | Trastuzumab Fab D185A (Light Chain) Mutant. | | Descriptor: | 1,2-ETHANEDIOL, Trastuzumab Anti-HER2 Fab Heavy Chain, Trastuzumab Anti-HER2 Fab Light Chain D185A | | Authors: | DiDonato, M, Spraggon, G. | | Deposit date: | 2017-10-31 | | Release date: | 2018-02-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Tuning a Protein-Labeling Reaction to Achieve Highly Site Selective Lysine Conjugation.
Chembiochem, 19, 2018
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6BI0
 | | Trastuzumab Fab N158A, D185A, K190A (Light Chain) Triple Mutant. | | Descriptor: | 1,2-ETHANEDIOL, Trastuzumab anti-HER2 Fab Heavy Chain, Trastuzumab anti-HER2 Fab Light Chain | | Authors: | DiDonato, M, Spraggon, G. | | Deposit date: | 2017-10-31 | | Release date: | 2018-02-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.057 Å) | | Cite: | Tuning a Protein-Labeling Reaction to Achieve Highly Site Selective Lysine Conjugation.
Chembiochem, 19, 2018
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1JES
 | | Crystal Structure of a Copper-Mediated Base Pair in DNA | | Descriptor: | 5'-D(*CP*GP*CP*GP*(DPY)P*AP*TP*(DRP)P*CP*GP*CP*G)-3', COPPER (II) ION | | Authors: | Atwell, S, Meggers, E, Spraggon, G, Schultz, P.G. | | Deposit date: | 2001-06-18 | | Release date: | 2001-11-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of a Copper-Mediated Base Pair in DNA
J.Am.Chem.Soc., 123, 2001
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8D28
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8DK7
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8D2A
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8D5L
 | | Crystal structure of theophylline aptamer in complex with TAL1 | | Descriptor: | 4-amino-8-methylpteridine-2,7(1H,8H)-dione, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Menichelli, E, Spraggon, G. | | Deposit date: | 2022-06-05 | | Release date: | 2022-11-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8D2B
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8D5O
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8D29
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2AG6
 | | Crystal structure of p-bromo-l-phenylalanine-tRNA sythetase in complex with p-bromo-l-phenylalanine | | Descriptor: | 4-BROMO-L-PHENYLALANINE, Tyrosyl-tRNA synthetase | | Authors: | Turner, J.M, Graziano, J, Spraggon, G, Schultz, P.G. | | Deposit date: | 2005-07-26 | | Release date: | 2006-04-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural plasticity of an aminoacyl-tRNA synthetase active site
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2AQX
 | | Crystal Structure of the Catalytic and CaM-Binding domains of Inositol 1,4,5-Trisphosphate 3-Kinase B | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PREDICTED: inositol 1,4,5-trisphosphate 3-kinase B | | Authors: | Chamberlain, P.P, Sandberg, M.L, Sauer, K, Cooke, M.P, Lesley, S.A, Spraggon, G. | | Deposit date: | 2005-08-18 | | Release date: | 2005-12-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into enzyme regulation for inositol 1,4,5-trisphosphate 3-kinase B
Biochemistry, 44, 2005
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1ZH6
 | | Crystal Structure of p-acetylphenylalanine-tRNA synthetase in complex with p-acetylphenylalanine | | Descriptor: | 4-ACETYL-L-PHENYLALANINE, BETA-MERCAPTOETHANOL, Tyrosyl-tRNA synthetase | | Authors: | Turner, J.M, Graziano, J, Spraggon, G, Schultz, P.G. | | Deposit date: | 2005-04-22 | | Release date: | 2006-04-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural characterization of a p-acetylphenylalanyl aminoacyl-tRNA synthetase.
J.Am.Chem.Soc., 127, 2005
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