1E7A
 
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6XUV
 | | Crystallographic structure of oligosaccharide dehydrogenase from Pycnoporus cinnabarinus, laminaribiose-bound form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Cerutti, G, Savino, C, Montemiglio, L.C, Vallone, B, Sciara, G. | | Deposit date: | 2020-01-21 | | Release date: | 2021-02-03 | | Last modified: | 2021-08-11 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure and functional characterization of an oligosaccharide dehydrogenase from Pycnoporus cinnabarinus provides insights into fungal breakdown of lignocellulose.
Biotechnol Biofuels, 14, 2021
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5LYY
 | | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | | Descriptor: | 3-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione, Platelet-activating factor acetylhydrolase | | Authors: | Woolford, A, Day, P. | | Deposit date: | 2016-09-29 | | Release date: | 2016-12-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
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6XV7
 | | CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 2 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N},3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine | | Authors: | Bader, G, Kessler, D, Wolkerstorfer, B. | | Deposit date: | 2020-01-21 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.668 Å) | | Cite: | PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy.
Angew.Chem.Int.Ed.Engl., 59, 2020
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8EPO
 | | Co-crystal structure of Chaetomium glucosidase with compound 18 | | Descriptor: | (3P)-3-(5,6-dihydro-1,4-dioxin-2-yl)-5-{[(3-{[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl}phenyl)methyl]amino}benzonitrile, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2022-10-06 | | Release date: | 2023-02-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
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1EAZ
 | | Crystal structure of the phosphoinositol (3,4)-bisphosphate binding PH domain of TAPP1 from human. | | Descriptor: | CITRIC ACID, TANDEM PH DOMAIN CONTAINING PROTEIN-1 | | Authors: | Thomas, C.C, Dowler, S, Deak, M, Alessi, D.R, Van Aalten, D.M.F. | | Deposit date: | 2001-07-17 | | Release date: | 2002-07-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structure of the Phosphatidylinositol 3,4-Bisphosphate-Binding Pleckstrin Homology (Ph) Domain of Tandem Ph-Domain-Containing Protein 1 (Tapp1): Molecular Basis of Lipid Specificity
Biochem.J., 358, 2001
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4X9S
 | | CRYSTAL STRUCTURE OF HISAP FROM STREPTOMYCES SP. MG1 | | Descriptor: | Phosphoribosyl isomerase A, SULFATE ION | | Authors: | MICHALSKA, K, VERDUZCO-CASTRO, E.A, ENDRES, M, BARONA-GOMEZ, F, JOACHIMIAK, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-12-11 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Co-occurrence of analogous enzymes determines evolution of a novel ( beta alpha )8-isomerase sub-family after non-conserved mutations in flexible loop.
Biochem. J., 473, 2016
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8EUL
 | | cytochrome P450terp (cyp108A1) mutant F188A bound to alpha-terpineol | | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450-terp, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Gable, J.A, Follmer, A.H, Poulos, T.L. | | Deposit date: | 2022-10-18 | | Release date: | 2023-02-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Cooperative Substrate Binding Controls Catalysis in Bacterial Cytochrome P450terp (CYP108A1).
J.Am.Chem.Soc., 2023
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1E7C
 | | HUMAN SERUM ALBUMIN COMPLEXED WITH MYRISTIC ACID and the general anesthetic halothane | | Descriptor: | 2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE, MYRISTIC ACID, SERUM ALBUMIN | | Authors: | Bhattacharya, A.A, Curry, S, Franks, N.P. | | Deposit date: | 2000-08-26 | | Release date: | 2001-01-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Binding of the General Anesthetics Propofol and Halothane to Human Serum Albumin. High Resolution Crystal Structures
J.Biol.Chem., 275, 2000
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6UH7
 | | EV-A71 strain 11316 complexed with MADAL compound 30 | | Descriptor: | SPHINGOSINE, VP1, VP2, ... | | Authors: | Lee, H, Hafenstein, S. | | Deposit date: | 2019-09-26 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Scaffold Simplification Strategy Leads to a Novel Generation of Dual Human Immunodeficiency Virus and Enterovirus-A71 Entry Inhibitors.
J.Med.Chem., 63, 2020
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6XY5
 | | Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 5 | | Descriptor: | 14-3-3 protein sigma, 3-bromanyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ... | | Authors: | Somsen, B.A, Ottmann, C. | | Deposit date: | 2020-01-29 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
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1E9I
 | | Enolase from E.coli | | Descriptor: | ENOLASE, MAGNESIUM ION, SULFATE ION | | Authors: | Kuhnel, K, Carpousis, A.J, Luisi, B. | | Deposit date: | 2000-10-17 | | Release date: | 2001-03-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Crystal Structure of the Escherichia Coli RNA Degradosome Component Enolase
J.Mol.Biol., 313, 2001
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5LTI
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1EB8
 | | Structure Determinants of Substrate Specificity of Hydroxynitrile Lyase from Manihot esculenta | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (S)-ACETONE-CYANOHYDRIN LYASE | | Authors: | Lauble, H, Miehlich, B, Foerster, S, Kobler, C, Wajant, H, Effenberger, F. | | Deposit date: | 2001-07-24 | | Release date: | 2002-01-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure Determinants of Substrate Specificity of Hydroxynitrile Lyase from Manihot Esculenta.
Protein Sci., 11, 2002
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8P33
 | | BB0238 from Borrelia burgdorferi | | Descriptor: | BB0238 | | Authors: | Brangulis, K, Foor, S.D, Shakya, A.K, Rana, V.S, Bista, S, Kitsou, C, Ronzetti, M, Linden, S.B, Altieri, A.S, Akopjana, I, Baljinnyam, B, Nelson, D.C, Simeonov, A, Herzberg, O, Caimano, M.J, Pal, U. | | Deposit date: | 2023-05-16 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A unique borrelial protein facilitates microbial immune evasion.
Mbio, 14, 2023
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6XZ8
 | | Structure of aldosterone synthase (CYP11B2) in complex with N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxo-isoindolin-2-yl)-3-pyridyl]ethyl]methanesulfonamide | | Descriptor: | Cytochrome P450 11B2, mitochondrial, HEME C, ... | | Authors: | Kuglstatter, A, Joseph, C, Benz, J. | | Deposit date: | 2020-02-03 | | Release date: | 2020-06-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors.
J.Med.Chem., 63, 2020
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5LUP
 | | Structures of DHBN domain of human BLM helicase | | Descriptor: | BLM protein, PHOSPHATE ION, POTASSIUM ION | | Authors: | Shi, J, Chen, W.-F, Zhang, B, Fan, S.-H, Ai, X, Liu, N.-N, Rety, S, Xi, X.-G. | | Deposit date: | 2016-09-09 | | Release date: | 2017-03-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.032 Å) | | Cite: | A helical bundle in the N-terminal domain of the BLM helicase mediates dimer and potentially hexamer formation.
J. Biol. Chem., 292, 2017
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5M0E
 | | Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors | | Descriptor: | 7alpha-hydroxycholesterol, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | | Authors: | Keune, W.-J, Heidebrecht, T, Perrakis, A. | | Deposit date: | 2016-10-04 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
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6TVS
 | | Crystal structure of the haemagglutinin mutant (Gln226Leu) from an H10N7 seal influenza virus isolated in Germany in complex with avian receptor analogue 3'-SLN | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | | Deposit date: | 2020-01-10 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
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8F70
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5M0P
 | | Crystal structure of cytochrome P450 OleT F79A in complex with arachidonic acid | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, Terminal olefin-forming fatty acid decarboxylase, ... | | Authors: | Tee, K.L, Munro, A, Matthews, S, Leys, D, Levy, C. | | Deposit date: | 2016-10-05 | | Release date: | 2017-01-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Catalytic Determinants of Alkene Production by the Cytochrome P450 Peroxygenase OleTJE.
J. Biol. Chem., 292, 2017
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5M0X
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1E78
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6TVD
 | | Crystal structure of the haemagglutinin from a H10N7 seal influenza virus isolated in Germany in complex with avian receptor analogue, 3'-SLN | | 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: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | | Deposit date: | 2020-01-09 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
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1E7G
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