6YKL
 
 | | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11k | | Descriptor: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... | | Authors: | Pang, L, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2020-04-06 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.
Eur.J.Med.Chem., 211, 2021
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6YKU
 | | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11f | | Descriptor: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... | | Authors: | Pang, L, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2020-04-06 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.
Eur.J.Med.Chem., 211, 2021
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6YKT
 | | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11e | | Descriptor: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... | | Authors: | Pang, L, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2020-04-06 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.
Eur.J.Med.Chem., 211, 2021
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6ZRV
 | | Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-W175F) in Complex with an Inhibitory Nanobody (VHH-s-a93, Nb93) | | Descriptor: | Plasminogen activator inhibitor 1, VHH-s-a93 (Nb93) | | Authors: | Sillen, M, Weeks, S.D, Strelkov, S.V, Declerck, P.J. | | Deposit date: | 2020-07-15 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structural Insights into the Mechanism of a Nanobody That Stabilizes PAI-1 and Modulates Its Activity.
Int J Mol Sci, 21, 2020
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7A0P
 | | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11i | | Descriptor: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... | | Authors: | Pang, L, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2020-08-10 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.
Eur.J.Med.Chem., 211, 2021
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5HVF
 | | Crystal Structure of Thrombin-activatable Fibrinolysis Inhibitor in Complex with an Inhibitory Nanobody (VHH-i83) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Carboxypeptidase B2, ... | | Authors: | Zhou, X, Weeks, S.D, Strelkov, S.V, Declerck, P.J. | | Deposit date: | 2016-01-28 | | Release date: | 2016-06-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Elucidation of the molecular mechanisms of two nanobodies that inhibit thrombin-activatable fibrinolysis inhibitor activation and activated thrombin-activatable fibrinolysis inhibitor activity.
J.Thromb.Haemost., 14, 2016
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5HVG
 | | Crystal Structure of Thrombin-activatable Fibrinolysis Inhibitor in Complex with an Inhibitory Nanobody (VHH-a204) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Zhou, X, Weeks, S.D, Strelkov, S.V, Declerck, P.J. | | Deposit date: | 2016-01-28 | | Release date: | 2016-06-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Elucidation of the molecular mechanisms of two nanobodies that inhibit thrombin-activatable fibrinolysis inhibitor activation and activated thrombin-activatable fibrinolysis inhibitor activity.
J.Thromb.Haemost., 14, 2016
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5HVH
 | | Crystal Structure of Thrombin-activatable Fibrinolysis Inhibitor in Complex with two Inhibitory Nanobodies | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Carboxypeptidase B2, ... | | Authors: | Zhou, X, Weeks, S.D, Strelkov, S.V, Declerck, P.J. | | Deposit date: | 2016-01-28 | | Release date: | 2016-06-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Elucidation of the molecular mechanisms of two nanobodies that inhibit thrombin-activatable fibrinolysis inhibitor activation and activated thrombin-activatable fibrinolysis inhibitor activity.
J.Thromb.Haemost., 14, 2016
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4G9S
 | | Crystal structure of Escherichia coli PliG in complex with Atlantic salmon g-type lysozyme | | Descriptor: | CHLORIDE ION, CITRATE ANION, Goose-type lysozyme, ... | | Authors: | Leysen, S, Vanderkelen, L, Weeks, S.D, Michiels, C.W, Strelkov, S.V. | | Deposit date: | 2012-07-24 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Structural basis of bacterial defense against g-type lysozyme-based innate immunity.
Cell.Mol.Life Sci., 70, 2013
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6GWQ
 | | Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-stab) in Complex with an Inhibitory Nanobody (VHH-2g-42) | | Descriptor: | Plasminogen Activator Inhibitor-1, VHH-2g-42 | | Authors: | Sillen, M, Weeks, S.D, Strelkov, S.V, Declerck, P.J. | | Deposit date: | 2018-06-25 | | Release date: | 2020-01-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Molecular mechanism of two nanobodies that inhibit PAI-1 activity reveals a modulation at distinct stages of the PAI-1/plasminogen activator interaction.
J.Thromb.Haemost., 18, 2020
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6GWP
 | | Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-stab) in Complex with Two Inhibitory Nanobodies (VHH-2g-42, VHH-2w-64) | | Descriptor: | Plasminogen Activator Inhibitor-1, VHH-2g-42, VHH-2w-64 | | Authors: | Sillen, M, Weeks, S.D, Strelkov, S.V, Declerck, P.J. | | Deposit date: | 2018-06-25 | | Release date: | 2020-01-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Molecular mechanism of two nanobodies that inhibit PAI-1 activity reveals a modulation at distinct stages of the PAI-1/plasminogen activator interaction.
J.Thromb.Haemost., 18, 2020
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6GWN
 | | Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-W175F) in Complex with Two Inhibitory Nanobodies (VHH-2g-42, VHH-2w-64) | | Descriptor: | Plasminogen activator inhibitor 1, VHH-2g-42, VHH-2w-64 | | Authors: | Sillen, M, Weeks, S.D, Strelkov, S.V, Declerck, P.J. | | Deposit date: | 2018-06-25 | | Release date: | 2020-01-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Molecular mechanism of two nanobodies that inhibit PAI-1 activity reveals a modulation at distinct stages of the PAI-1/plasminogen activator interaction.
J.Thromb.Haemost., 18, 2020
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6HHX
 | | Structure of T. thermophilus AspRS in Complex with 5'-O-(N-(L-aspartyl)-sulfamoyl)cytidine | | Descriptor: | 5'-O-(N-(L-aspartyl)-sulfamoyl)cytidine, Aspartate--tRNA(Asp) ligase | | Authors: | De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2018-08-29 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
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6HHV
 | | Structure of T. thermophilus AspRS in Complex with 5'-O-(N-(L-aspartyl)-sulfamoyl)N3-methyluridine | | Descriptor: | 5'-O-(N-(L-aspartyl)-sulfamoyl)N3-methyluridine, Aspartate--tRNA(Asp) ligase | | Authors: | De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2018-08-29 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
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6H9X
 | | Klebsiella pneumoniae Seryl-tRNA Synthetase in Complex with the Intermediate Analog 5'-O-(N-(L-Seryl)-Sulfamoyl)Adenosine | | Descriptor: | 1,2-ETHANEDIOL, 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, CALCIUM ION, ... | | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2018-08-06 | | Release date: | 2019-05-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Acylated sulfonamide adenosines as potent inhibitors of the adenylate-forming enzyme superfamily.
Eur.J.Med.Chem., 174, 2019
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6HB6
 | | Crystal structure of E. coli tyrRS in complex with 5'-O-(N-L-tyrosyl)sulfamoyl-uridine | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Tyrosine--tRNA ligase, ... | | Authors: | De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2018-08-09 | | Release date: | 2019-04-17 | | Last modified: | 2019-05-01 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases.
Eur.J.Med.Chem., 173, 2019
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6HHY
 | | Klebsiella pneumoniae Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine | | Descriptor: | 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine, CALCIUM ION, ... | | Authors: | Pang, L, De Graef, S, Weeks, S.D, Strelkov, S.V. | | Deposit date: | 2018-08-29 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
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7B6A
 | | BK Polyomavirus VP1 pentamer core (residues 30-299) | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, IODIDE ION, ... | | Authors: | Osipov, E.M, Munawar, A, Beelen, S, Strelkov, S.V. | | Deposit date: | 2020-12-07 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Discovery of novel druggable pockets on polyomavirus VP1 through crystallographic fragment-based screening to develop capsid assembly inhibitors.
Rsc Chem Biol, 3, 2022
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7B69
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7B6C
 | | BK Polyomavirus VP1 pentamer fusion with long C-terminal extended arm | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, Major capsid protein VP1,Major capsid protein VP1 | | Authors: | Osipov, E.M, Beelen, S, Strelkov, S.V. | | Deposit date: | 2020-12-07 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.484 Å) | | Cite: | Discovery of novel druggable pockets on polyomavirus VP1 through crystallographic fragment-based screening to develop capsid assembly inhibitors.
Rsc Chem Biol, 3, 2022
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3RUN
 | | New strategy to analyze structures of glycopeptide antibiotic-target complexes | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Economou, N.J, Townsend, T.M, Loll, P.J. | | Deposit date: | 2011-05-05 | | Release date: | 2012-06-06 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A carrier protein strategy yields the structure of dalbavancin.
J.Am.Chem.Soc., 134, 2012
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3Q9P
 | | HspB1 fragment | | Descriptor: | Heat shock protein beta-1 | | Authors: | Baranova, E.V, Beelen, S, Gusev, N.B, Strelkov, S.V. | | Deposit date: | 2011-01-09 | | Release date: | 2011-07-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-Dimensional Structure of alpha-Crystallin Domain Dimers of Human Small Heat Shock Proteins HSPB1 and HSPB6
J.Mol.Biol., 2011
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3Q9Q
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6YHW
 | | Co-crystals in the P212121 space group, of a beta-cyclodextrin spacered by triazole heptyl from alpha-D-mannose, with FimH lectin at 2.00 A resolution. | | Descriptor: | 2H-1,2,3-TRIAZOL-4-YLMETHANOL, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), FimH, ... | | Authors: | de Ruyck, J, Bouckaert, J. | | Deposit date: | 2020-03-31 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.962 Å) | | Cite: | The Antiadhesive Strategy in Crohn's Disease: Orally Active Mannosides to Decolonize Pathogenic Escherichia coli from the Gut.
Chembiochem, 17, 2016
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