6FTR
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![BU of 6ftr by Molmil](/molmil-images/mine/6ftr) | Serial Femtosecond Crystallography at Megahertz pulse rates | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Wiedorn, M.O, Oberthuer, D, Barty, A, Chapman, H.N. | Deposit date: | 2018-02-23 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.76000106 Å) | Cite: | Megahertz serial crystallography. Nat Commun, 9, 2018
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7ULD
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6GD3
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![BU of 6gd3 by Molmil](/molmil-images/mine/6gd3) | Structure of HuR RRM3 in complex with RNA (UAUUUA) | Descriptor: | ELAV-like protein 1, RNA (5'-R(P*UP*AP*UP*UP*UP*A)-3'), SODIUM ION | Authors: | Pabis, M, Sattler, M. | Deposit date: | 2018-04-21 | Release date: | 2018-10-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | HuR biological function involves RRM3-mediated dimerization and RNA binding by all three RRMs. Nucleic Acids Res., 47, 2019
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3ZQ5
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![BU of 3zq5 by Molmil](/molmil-images/mine/3zq5) | Structure of the Y263F mutant of the cyanobacterial phytochrome Cph1 | Descriptor: | ACETATE ION, GLYCEROL, PHOSPHATE ION, ... | Authors: | Mailliet, J, Psakis, G, Sineshchekov, V, Essen, L.-O, Hughes, J. | Deposit date: | 2011-06-07 | Release date: | 2011-11-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Spectroscopy and a High-Resolution Crystal Structure of Tyr263 Mutants of Cyanobacterial Phytochrome Cph1. J.Mol.Biol., 413, 2011
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3ZSO
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![BU of 3zso by Molmil](/molmil-images/mine/3zso) | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based design | Descriptor: | 5-{[(2-{[bis(4-methoxyphenyl)methyl]carbamoyl}benzyl)(prop-2-en-1-yl)amino]methyl}-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, INTEGRASE, ... | Authors: | Peat, T.S, Newman, J, Rhodes, D.I, Deadman, J.J, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L. | Deposit date: | 2011-06-30 | Release date: | 2012-07-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design. Plos One, 7, 2012
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6G00
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![BU of 6g00 by Molmil](/molmil-images/mine/6g00) | Crystal Structure of a GH8 xylanase from Teredinibacter turnerae | Descriptor: | 1,2-ETHANEDIOL, Glycoside hydrolase family 8 domain protein, SODIUM ION | Authors: | Fowler, C.A, Davies, G.J, Walton, P.H. | Deposit date: | 2018-03-15 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure and function of a glycoside hydrolase family 8 endoxylanase from Teredinibacter turnerae. Acta Crystallogr D Struct Biol, 74, 2018
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3ZPY
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![BU of 3zpy by Molmil](/molmil-images/mine/3zpy) | Crystal structure of the marine PL7 alginate lyase AlyA1 from Zobellia galactanivorans | Descriptor: | ALGINATE LYASE, FAMILY PL7, SODIUM ION | Authors: | Thomas, F, Jeudy, A, Michel, G, Czjzek, M. | Deposit date: | 2013-03-04 | Release date: | 2013-06-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Comparative Characterization of Two Marine Alginate Lyases from Zobellia Galactanivorans Reveals Distinct Modes of Action and Exquisite Adaptation to Their Natural Substrate. J.Biol.Chem., 288, 2013
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6GED
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![BU of 6ged by Molmil](/molmil-images/mine/6ged) | Adhesin domain of PrgB from Enterococcus faecalis bound to DNA | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(P*CP*GP*GP*GP*CP*CP*GP*CP*CP*C)-3'), DNA (5'-D(P*GP*GP*GP*CP*GP*GP*CP*CP*CP*G)-3'), ... | Authors: | Schmitt, A, Berntsson, R.P.A. | Deposit date: | 2018-04-26 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.794 Å) | Cite: | PrgB promotes aggregation, biofilm formation, and conjugation through DNA binding and compaction. Mol. Microbiol., 109, 2018
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6G8K
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![BU of 6g8k by Molmil](/molmil-images/mine/6g8k) | 14-3-3sigma in complex with a S131beta3S mutated YAP pS127 phosphopeptide | Descriptor: | 14-3-3 protein sigma, ACE-ARG-ALA-HIS-SEP-SER-PRO-ALA-BSE-LEU-GLN, CHLORIDE ION, ... | Authors: | Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G. | Deposit date: | 2018-04-09 | Release date: | 2019-04-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins. Chem.Commun.(Camb.), 55, 2019
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3UVX
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![BU of 3uvx by Molmil](/molmil-images/mine/3uvx) | Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H4K12acK16ac) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, FORMIC ACID, ... | Authors: | Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-11-30 | Release date: | 2012-01-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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3V72
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![BU of 3v72 by Molmil](/molmil-images/mine/3v72) | Crystal Structure of Rat DNA polymerase beta Mutator E295K: Enzyme-dsDNA | Descriptor: | CHLORIDE ION, DNA 5'-D(P*AP*AP*AP*CP*TP*CP*AP*CP*AP*T)-3', DNA 5'-D(P*AP*TP*GP*TP*GP*AP*GP*T)-3', ... | Authors: | Gridley, C.L, Jaeger, J. | Deposit date: | 2011-12-20 | Release date: | 2012-07-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Unfavorable Electrostatic and Steric Interactions in DNA Polymerase beta E295K Mutant Interfere with the Enzyme s Pathway J.Am.Chem.Soc., 134, 2012
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7UN7
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3UQ0
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![BU of 3uq0 by Molmil](/molmil-images/mine/3uq0) | Crystal structure of the post-catalytic product complex of polymerase lambda with an rAMP at the primer terminus. | Descriptor: | 1,2-ETHANEDIOL, 5'-D(*CP*AP*GP*TP*AP*CP)-R(P*A)-3', 5'-D(*CP*GP*GP*CP*TP*GP*TP*AP*CP*TP*G)-3', ... | Authors: | Gosavi, R.A, Moon, A.F, Kunkel, T.A, Pedersen, L.C, Bebenek, K. | Deposit date: | 2011-11-18 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | The catalytic cycle for ribonucleotide incorporation by human DNA Pol lambda Nucleic Acids Res., 40, 2012
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6GDY
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![BU of 6gdy by Molmil](/molmil-images/mine/6gdy) | Crystal structure of 2OG oxygenase JMJD6 (aa 1-343) in complex with Fe(II) and 2OG | Descriptor: | 2-OXOGLUTARIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, ... | Authors: | Islam, M.S, Schofield, C.J, McDonough, M.A. | Deposit date: | 2018-04-24 | Release date: | 2019-04-03 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Biochemical and structural investigations clarify the substrate selectivity of the 2-oxoglutarate oxygenase JMJD6. J.Biol.Chem., 294, 2019
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3UTU
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![BU of 3utu by Molmil](/molmil-images/mine/3utu) | High affinity inhibitor of human thrombin | Descriptor: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2S)-2-[(3-chloro-4-methoxybenzene)sulfonamido]-3-{[(4-cyanophenyl)methyl]carbamoyl}propanoyl]pyrrolidine-2-carboxamide, Hirudin variant-1, SODIUM ION, ... | Authors: | Baum, B, Steinmetzer, T, Heine, A, Klebe, G. | Deposit date: | 2011-11-26 | Release date: | 2012-08-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Beyond heparinization: design of highly potent thrombin inhibitors suitable for surface coupling Chemmedchem, 7, 2012
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7UGJ
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![BU of 7ugj by Molmil](/molmil-images/mine/7ugj) | TBOA-bound GltPh RSMR mutant in OFS state | Descriptor: | (3S)-3-(BENZYLOXY)-L-ASPARTIC ACID, Glutamate transporter homolog, SODIUM ION | Authors: | Huang, Y, Boudker, O. | Deposit date: | 2022-03-24 | Release date: | 2023-03-29 | Last modified: | 2023-05-10 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Environmentally Ultrasensitive Fluorine Probe to Resolve Protein Conformational Ensembles by 19F NMR and Cryo-EM J.Am.Chem.Soc., 145, 2023
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6E04
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![BU of 6e04 by Molmil](/molmil-images/mine/6e04) | sperm whale myoglobin 1-nitrosopropane | Descriptor: | 1-nitrosopropane, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Herrera, V.E. | Deposit date: | 2018-07-06 | Release date: | 2019-07-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives. Biochemistry, 62, 2023
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3ZWF
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![BU of 3zwf by Molmil](/molmil-images/mine/3zwf) | Crystal structure of Human tRNase Z, short form (ELAC1). | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, SODIUM ION, ... | Authors: | Allerston, C.K, Krojer, T, Berridge, G, Burgess-Brown, N, Chaikuad, A, Chalk, R, Elkins, J.M, Gileadi, C, Latwiel, S.V.A, Savitsky, P, Vollmar, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Gileadi, O. | Deposit date: | 2011-07-29 | Release date: | 2011-08-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of Human Trnase Z, Short Form (Elac1). To be Published
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3ZMG
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![BU of 3zmg by Molmil](/molmil-images/mine/3zmg) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND | Descriptor: | BETA-SECRETASE 1, DIMETHYL SULFOXIDE, N-[3-[(4R)-2-azanylidene-5,5-bis(fluoranyl)-4-methyl-1,3-oxazinan-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide, ... | Authors: | Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M. | Deposit date: | 2013-02-08 | Release date: | 2013-05-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Beta-Secretase (Bace1) Inhibitors with High in Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer'S Disease. J.Med.Chem., 56, 2013
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3X42
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![BU of 3x42 by Molmil](/molmil-images/mine/3x42) | Crystal structure of copper amine oxidase from Arthrobacter globiformis in the presence of sodium bromide | Descriptor: | BROMIDE ION, COPPER (II) ION, GLYCEROL, ... | Authors: | Okajima, T, Nakanishi, S, Murakawa, T, Kataoka, M, Hayashi, H, Hamaguchi, A, Nakai, T, Kawano, Y, Yamaguchi, H, Tanizawa, K. | Deposit date: | 2015-03-10 | Release date: | 2015-08-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.875 Å) | Cite: | Probing the Catalytic Mechanism of Copper Amine Oxidase from Arthrobacter globiformis with Halide Ions. J.Biol.Chem., 290, 2015
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3X41
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![BU of 3x41 by Molmil](/molmil-images/mine/3x41) | Copper amine oxidase from Arthrobacter globiformis: Product Schiff-base form produced by anaerobic reduction in the presence of sodium bromide | Descriptor: | BROMIDE ION, COPPER (II) ION, GLYCEROL, ... | Authors: | Okajima, T, Nakanishi, S, Murakawa, T, Kataoka, M, Hayashi, H, Hamaguchi, A, Nakai, T, Kawano, Y, Yamaguchi, H, Tanizawa, K. | Deposit date: | 2015-03-10 | Release date: | 2015-08-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Probing the Catalytic Mechanism of Copper Amine Oxidase from Arthrobacter globiformis with Halide Ions. J.Biol.Chem., 290, 2015
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6G35
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![BU of 6g35 by Molmil](/molmil-images/mine/6g35) | Crystal structure of haspin in complex with 5-bromotubercidin | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-bromotubercidin, BROMIDE ION, ... | Authors: | Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-24 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times. Angew. Chem. Int. Ed. Engl., 57, 2018
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6G8A
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![BU of 6g8a by Molmil](/molmil-images/mine/6g8a) | Lysozyme solved by Native SAD from a dataset collected in 5 seconds at 1 A wavelength with JUNGFRAU detector | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Leonarski, F, Olieric, V, Vera, L, Redford, S, Wang, M. | Deposit date: | 2018-04-08 | Release date: | 2018-08-01 | Last modified: | 2018-10-24 | Method: | X-RAY DIFFRACTION (1.143 Å) | Cite: | Fast and accurate data collection for macromolecular crystallography using the JUNGFRAU detector. Nat. Methods, 15, 2018
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6G39
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![BU of 6g39 by Molmil](/molmil-images/mine/6g39) | Crystal structure of haspin F605Y mutant in complex with 5-iodotubercidin | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, (4R)-2-METHYLPENTANE-2,4-DIOL, IODIDE ION, ... | Authors: | Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-24 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times. Angew. Chem. Int. Ed. Engl., 57, 2018
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6G8J
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![BU of 6g8j by Molmil](/molmil-images/mine/6g8j) | 14-3-3sigma in complex with a A130beta3A mutated YAP pS127 phosphopeptide | Descriptor: | 14-3-3 protein sigma, ACE-ARG-ALA-HIS-SEP-SER-PRO-BAL-SER-LEU-GLN, CHLORIDE ION, ... | Authors: | Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G. | Deposit date: | 2018-04-09 | Release date: | 2019-04-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins. Chem.Commun.(Camb.), 55, 2019
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