5FEQ
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![BU of 5feq by Molmil](/molmil-images/mine/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
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![BU of 5fee by Molmil](/molmil-images/mine/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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5W5J
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5FED
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![BU of 5fed by Molmil](/molmil-images/mine/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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1FZC
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![BU of 1fzc by Molmil](/molmil-images/mine/1fzc) | CRYSTAL STRUCTURE OF FRAGMENT DOUBLE-D FROM HUMAN FIBRIN WITH TWO DIFFERENT BOUND LIGANDS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Everse, S.J, Spraggon, G, Veerapandian, L, Riley, M, Doolittle, R.F. | Deposit date: | 1998-05-19 | Release date: | 1998-10-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of fragment double-D from human fibrin with two different bound ligands. Biochemistry, 37, 1998
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8SVE
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6BI2
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6BHZ
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![BU of 6bhz by Molmil](/molmil-images/mine/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
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![BU of 6bi0 by Molmil](/molmil-images/mine/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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4CJD
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![BU of 4cjd by Molmil](/molmil-images/mine/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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4BIH
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![BU of 4bih by Molmil](/molmil-images/mine/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
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![BU of 4b8y by Molmil](/molmil-images/mine/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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8DK7
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8D28
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8D2B
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8D2A
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8D5L
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![BU of 8d5l by Molmil](/molmil-images/mine/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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3FCA
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![BU of 3fca by Molmil](/molmil-images/mine/3fca) | Genetic Incorporation of a Metal-ion Chelating Amino Acid into proteins as biophysical probe | Descriptor: | Cysteine synthase, ZINC ION | Authors: | Wang, F, Lee, H, Spraggon, G, Schultz, P.G. | Deposit date: | 2008-11-21 | Release date: | 2009-02-17 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.149 Å) | Cite: | Genetic incorporation of a metal-ion chelating amino acid into proteins as a biophysical probe. J.Am.Chem.Soc., 131, 2009
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3L4B
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![BU of 3l4b by Molmil](/molmil-images/mine/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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3JXO
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![BU of 3jxo by Molmil](/molmil-images/mine/3jxo) | Crystal Structure of an Octomeric Two-Subunit TrkA K+ Channel Ring Gating Assembly, TM1088A:TM1088B, from Thermotoga maritima | Descriptor: | TrkA-N domain protein | 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: | 2009-09-20 | Release date: | 2009-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.55 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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1JES
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![BU of 1jes by Molmil](/molmil-images/mine/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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2VP8
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![BU of 2vp8 by Molmil](/molmil-images/mine/2vp8) | Structure of Mycobacterium tuberculosis Rv1207 | Descriptor: | 1,2-ETHANEDIOL, DIHYDROPTEROATE SYNTHASE 2 | Authors: | Gengenbacher, M, Xu, T, Niyomwattanakit, P, Spraggon, G, Dick, T. | Deposit date: | 2008-02-27 | Release date: | 2008-08-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Biochemical and Structural Characterization of the Putative Dihydropteroate Synthase Ortholog Rv1207 of Mycobacterium Tuberculosis. Fems Microbiol.Lett., 287, 2008
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2QB5
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![BU of 2qb5 by Molmil](/molmil-images/mine/2qb5) | Crystal Structure of Human Inositol 1,3,4-Trisphosphate 5/6-Kinase (ITPK1) in Complex with ADP and Mn2+ | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Inositol-tetrakisphosphate 1-kinase, MANGANESE (II) ION, ... | Authors: | Chamberlain, P.P, Lesley, S.A, Spraggon, G. | Deposit date: | 2007-06-15 | Release date: | 2007-07-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Integration of inositol phosphate signaling pathways via human ITPK1. J.Biol.Chem., 282, 2007
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