1FZA
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1FZB
| CRYSTAL STRUCTURE OF CROSSLINKED FRAGMENT D | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FIBRINOGEN, ... | Authors: | Spraggon, G, Everse, S.J, Doolittle, R.F. | Deposit date: | 1997-08-05 | Release date: | 1997-12-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of fragment D from human fibrinogen and its crosslinked counterpart from fibrin. Nature, 389, 1997
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6CUJ
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8SVE
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7KFA
| PCSK9 in complex with PCSK9i a 13mer cyclic peptide LDLR disruptor | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, ... | Authors: | Chopra, R, Xu, M, Spraggon, G. | Deposit date: | 2020-10-13 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Identification of a PCSK9-LDLR disruptor peptide with in vivo function. Cell Chem Biol, 29, 2022
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5W5O
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5W5J
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6WYS
| Lon protease proteolytic domain | Descriptor: | Lon protease homolog, mitochondrial, SULFATE ION | Authors: | Lee, C.C, Spraggon, G. | Deposit date: | 2020-05-13 | Release date: | 2021-04-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.229 Å) | Cite: | Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology. J.Med.Chem., 64, 2021
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6WZV
| Lon protease proteolytic domain | Descriptor: | Lon protease homolog, mitochondrial, N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide, ... | Authors: | Lee, C.C, Spraggon, G. | Deposit date: | 2020-05-14 | Release date: | 2021-04-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology. J.Med.Chem., 64, 2021
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6X27
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6X1M
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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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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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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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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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8DK7
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8D28
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8D2B
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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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8D5O
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8D29
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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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