7OT2
 
 | | Human Prolyl-tRNA Synthetase in Complex with L-proline and Compound 4j | | Descriptor: | 3-[[2-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, PROLINE, ... | | Authors: | Pang, L, Zitko, J, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2021-06-09 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies.
Int J Mol Sci, 22, 2021
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8HFM
 | | Crystal Structure of Mycobacterium smegmatis MshC | | Descriptor: | CALCIUM ION, L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase, ZINC ION | | Authors: | Pang, L, Weeks, S.D, Strelkov, S.V. | | Deposit date: | 2022-11-11 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structural Basis of Cysteine Ligase MshC Inhibition by Cysteinyl-Sulfonamides.
Int J Mol Sci, 23, 2022
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8HFO
 | | Crystal Structure of Mycobacterium smegmatis MshC in Complex with Compound 7d | | Descriptor: | CALCIUM ION, L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase, N-[(3M)-3-(thiophen-2-yl)benzene-1-sulfonyl]-L-cysteinamide, ... | | Authors: | Pang, L, Weeks, S.D, Strelkov, S.V. | | Deposit date: | 2022-11-11 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structural Basis of Cysteine Ligase MshC Inhibition by Cysteinyl-Sulfonamides.
Int J Mol Sci, 23, 2022
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8HFN
 | | Crystal Structure of Mycobacterium smegmatis MshC in Complex with Compound 7b | | Descriptor: | CALCIUM ION, L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase, N-[(3M)-3-(6-methoxypyridin-3-yl)benzene-1-sulfonyl]-L-cysteinamide, ... | | Authors: | Pang, L, Weeks, S.D, Strelkov, S.V. | | Deposit date: | 2022-11-11 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural Basis of Cysteine Ligase MshC Inhibition by Cysteinyl-Sulfonamides.
Int J Mol Sci, 23, 2022
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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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6Q8A
 | | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with 5'-O-(N-(L-Leucyl)-Sulfamoyl)Cytidine | | Descriptor: | 5'-O-(N-(L-Leucyl)-Sulfamoyl)Cytidine, Leucine--tRNA ligase, MAGNESIUM ION, ... | | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2018-12-14 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.11 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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6Q89
 | | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with the Intermediate Analog 5'-O-(N-(L-Leucyl)-Sulfamoyl)Adenosine | | Descriptor: | 1,2-ETHANEDIOL, 5'-O-(L-leucylsulfamoyl)adenosine, Leucine--tRNA ligase, ... | | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2018-12-14 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.21 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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6Q8C
 | | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with 5'-O-(N-(L-Leucyl)-Sulfamoyl)Uridine | | Descriptor: | 1,2-ETHANEDIOL, 5'-O-(N-(L-Leucyl)-Sulfamoyl)Uridine, Leucine--tRNA ligase, ... | | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2018-12-14 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.31 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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6Q8B
 | | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with 5'-O-(N-(L-Leucyl)-Sulfamoyl)N3-methyluridine | | Descriptor: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... | | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2018-12-14 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 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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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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6RLV
 | | Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine | | Descriptor: | 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine, GLYCEROL, MALONATE ION, ... | | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2019-05-02 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 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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6RLT
 | | Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-Sulfamoyl)uridine | | Descriptor: | 5'-O-(N-(L-seryl)-Sulfamoyl)uridine, GLYCEROL, MALONATE ION, ... | | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2019-05-02 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.84 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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6SJC
 | | Structure of T. thermophilus AspRS in Complex with 5'-O-(N-(L-aspartyl)-sulfamoyl)adenosine | | Descriptor: | 5'-O-(L-alpha-aspartylsulfamoyl)adenosine, Aspartate--tRNA(Asp) ligase | | Authors: | De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2019-08-13 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.23 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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6S30
 | | Crystal Structure of Seryl-tRNA Synthetase from Klebsiella pneumoniae | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Serine--tRNA ligase | | Authors: | Pang, L, De Graef, S, Weeks, S.D, Strelkov, S.V. | | Deposit date: | 2019-06-23 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.41 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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6RLU
 | | Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)cytidine | | Descriptor: | 5'-O-(N-(L-seryl)-sulfamoyl)cytidine, GLYCEROL, MALONATE ION, ... | | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2019-05-02 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.88 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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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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7AP4
 | | Thermus thermophilus Aspartyl-tRNA Synthetase in Complex with Compound AspS7HMDDA | | Descriptor: | (3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid, Aspartate--tRNA(Asp) ligase | | Authors: | De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2020-10-15 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Synthesis and Biological Evaluation of 1,3-Dideazapurine-Like 7-Amino-5-Hydroxymethyl-Benzimidazole Ribonucleoside Analogues as Aminoacyl-tRNA Synthetase Inhibitors.
Molecules, 25, 2020
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7AP2
 | | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound LeuS7HMDDA | | Descriptor: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... | | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2020-10-15 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Synthesis and Biological Evaluation of 1,3-Dideazapurine-Like 7-Amino-5-Hydroxymethyl-Benzimidazole Ribonucleoside Analogues as Aminoacyl-tRNA Synthetase Inhibitors.
Molecules, 25, 2020
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7AP3
 | | Crystal structure of E. coli tyrosyl-tRNA synthetase in complex with TyrS7HMDDA | | Descriptor: | SODIUM ION, Tyrosine--tRNA ligase, [(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate | | Authors: | De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2020-10-15 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Synthesis and Biological Evaluation of 1,3-Dideazapurine-Like 7-Amino-5-Hydroxymethyl-Benzimidazole Ribonucleoside Analogues as Aminoacyl-tRNA Synthetase Inhibitors.
Molecules, 25, 2020
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7AP1
 | | Klebsiella pneumoniae Seryl-tRNA synthetase in Complex with Compound SerS7HMDDA | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Serine-tRNA ligase, ... | | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2020-10-15 | | Release date: | 2020-11-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Synthesis and Biological Evaluation of 1,3-Dideazapurine-Like 7-Amino-5-Hydroxymethyl-Benzimidazole Ribonucleoside Analogues as Aminoacyl-tRNA Synthetase Inhibitors.
Molecules, 25, 2020
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6HI0
 | | Klebsiella pneumoniae Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-Sulfamoyl)uridine | | Descriptor: | 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-Sulfamoyl)uridine, 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 (2.25 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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6HE3
 | | Pseudomonas aeruginosa Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)cytidine | | Descriptor: | 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-sulfamoyl)cytidine, SODIUM ION, ... | | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2018-08-20 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.16 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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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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6HDZ
 | | Pseudomonas aeruginosa Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-Sulfamoyl)uridine | | Descriptor: | 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-Sulfamoyl)uridine, SODIUM ION, ... | | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2018-08-20 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.06 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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