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7QCF
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BU of 7qcf by Molmil
X-ray crystallographic structure of E. coli K-12 glycyl-tRNA synthetase alpha subunit (glyQ)
分子名称: Glycine--tRNA ligase alpha subunit
著者Weeks, S.D, Munawar, A.H.
登録日2021-11-23
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of E. coli K-12 glycyl-tRNA synthetase alpha subunit (glyQ)
To Be Published
7JNO
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BU of 7jno by Molmil
X-ray crystallographic structure of the NS3 helicase domain from Tick-borne encephalitis virus
分子名称: Serine protease NS3
著者Weeks, S.D, Munwar, A, Lucero, H.A, Bandara, A, Munawar, A.H.
登録日2020-08-05
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of Tickborne Encephalitis Virus NS3-Helicase and implications for drug design
To Be Published
6Z4U
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BU of 6z4u by Molmil
X-ray Crystallographic Structure of Orf9b from SARS-CoV-2
分子名称: POLYETHYLENE GLYCOL (N=34), Protein 9b
著者Weeks, S.D, De Graef, S, Munawar, A.
登録日2020-05-25
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献X-ray Crystallographic Structure of Orf9b from SARS-CoV-2
To Be Published
4JUT
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BU of 4jut by Molmil
Crystal structure of a mutant fragment of Human HSPB6
分子名称: GLYCEROL, Heat shock protein beta-6
著者Weeks, S.D, Baranova, E.V, Beelen, S, Heirbaut, M, Gusev, N.B, Strelkov, S.V.
登録日2013-03-25
公開日2014-02-05
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2.196 Å)
主引用文献Molecular structure and dynamics of the dimeric human small heat shock protein HSPB6.
J.Struct.Biol., 185, 2014
4JUS
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BU of 4jus by Molmil
Crystal structure of a fragment of Human HSPB6
分子名称: GLYCEROL, Heat shock protein beta-6
著者Weeks, S.D, Baranova, E.V, Beelen, S, Heirbaut, M, Gusev, N.B, Strelkov, S.V.
登録日2013-03-25
公開日2014-02-05
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular structure and dynamics of the dimeric human small heat shock protein HSPB6.
J.Struct.Biol., 185, 2014
3O65
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BU of 3o65 by Molmil
Crystal structure of a Josephin-ubiquitin complex: Evolutionary restraints on ataxin-3 deubiquitinating activity
分子名称: Putative ataxin-3-like protein, SODIUM ION, Ubiquitin
著者Weeks, S.D, Grasty, K.C, Hernandez-Cuebas, L, Loll, P.J.
登録日2010-07-28
公開日2010-11-24
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of a Josephin-Ubiquitin Complex: EVOLUTIONARY RESTRAINTS ON ATAXIN-3 DEUBIQUITINATING ACTIVITY.
J.Biol.Chem., 286, 2011
3H7P
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BU of 3h7p by Molmil
Crystal structure of K63-linked di-ubiquitin
分子名称: CADMIUM ION, Ubiquitin
著者Weeks, S.D, Grasty, K.C, Hernandez-Cuebas, L, Loll, P.J.
登録日2009-04-28
公開日2009-09-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of Lys-63-linked tri- and di-ubiquitin reveal a highly extended chain architecture.
Proteins, 77, 2009
3H7S
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BU of 3h7s by Molmil
Crystal structures of K63-linked di- and tri-ubiquitin reveal a highly extended chain architecture
分子名称: Ubiquitin, ZINC ION
著者Weeks, S.D, Grasty, K.C, Hernandez-Cuebas, L, Loll, P.J.
登録日2009-04-28
公開日2009-09-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of Lys-63-linked tri- and di-ubiquitin reveal a highly extended chain architecture.
Proteins, 77, 2009
4G2U
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BU of 4g2u by Molmil
Crystal Structure Analysis of Ostertagia ostertagi ASP-1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ancylostoma-secreted protein-like protein, SULFATE ION
著者Weeks, S.D, Borloo, J, Geldhof, P, Vercruysse, J, Strelkov, S.V.
登録日2012-07-13
公開日2013-03-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of Ostertagia ostertagi ASP-1: insights into disulfide-mediated cyclization and dimerization
Acta Crystallogr.,Sect.D, 69, 2013
6FPC
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BU of 6fpc by Molmil
Structure of the PRO-PRO endopeptidase (PPEP-2) from Paenibacillus alvei
分子名称: CADMIUM ION, PRO-PRO endopeptidase, SULFATE ION, ...
著者Weeks, S.D, Klychnikov, O.I, Hensbergen, P.J, Strelkov, S.V.
登録日2018-02-09
公開日2018-05-30
最終更新日2018-07-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of a new Pro-Pro endopeptidase, PPEP-2, provides mechanistic insights into the differences in substrate specificity within the PPEP family.
J. Biol. Chem., 293, 2018
8HFN
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BU of 8hfn by Molmil
Crystal Structure of Mycobacterium smegmatis MshC in Complex with Compound 7b
分子名称: 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, ...
著者Pang, L, Weeks, S.D, Strelkov, S.V.
登録日2022-11-11
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural Basis of Cysteine Ligase MshC Inhibition by Cysteinyl-Sulfonamides.
Int J Mol Sci, 23, 2022
8HFO
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Crystal Structure of Mycobacterium smegmatis MshC in Complex with Compound 7d
分子名称: 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, ...
著者Pang, L, Weeks, S.D, Strelkov, S.V.
登録日2022-11-11
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Structural Basis of Cysteine Ligase MshC Inhibition by Cysteinyl-Sulfonamides.
Int J Mol Sci, 23, 2022
8HFM
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BU of 8hfm by Molmil
Crystal Structure of Mycobacterium smegmatis MshC
分子名称: CALCIUM ION, L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase, ZINC ION
著者Pang, L, Weeks, S.D, Strelkov, S.V.
登録日2022-11-11
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structural Basis of Cysteine Ligase MshC Inhibition by Cysteinyl-Sulfonamides.
Int J Mol Sci, 23, 2022
7YP8
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BU of 7yp8 by Molmil
Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Leucyl-sulfamoyl 3-deazaadenosine
分子名称: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ...
著者Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
登録日2022-08-02
公開日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The essential role of a structured water in base recognition of Class II aminoacyl-tRNA synthetases
To be published
7AP4
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BU of 7ap4 by Molmil
Thermus thermophilus Aspartyl-tRNA Synthetase in Complex with Compound AspS7HMDDA
分子名称: (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
著者De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D.
登録日2020-10-15
公開日2020-12-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Synthesis and Biological Evaluation of 1,3-Dideazapurine-Like 7-Amino-5-Hydroxymethyl-Benzimidazole Ribonucleoside Analogues as Aminoacyl-tRNA Synthetase Inhibitors.
Molecules, 25, 2020
7AP2
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Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound LeuS7HMDDA
分子名称: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ...
著者Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
登録日2020-10-15
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Synthesis and Biological Evaluation of 1,3-Dideazapurine-Like 7-Amino-5-Hydroxymethyl-Benzimidazole Ribonucleoside Analogues as Aminoacyl-tRNA Synthetase Inhibitors.
Molecules, 25, 2020
7AP3
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Crystal structure of E. coli tyrosyl-tRNA synthetase in complex with TyrS7HMDDA
分子名称: 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
著者De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D.
登録日2020-10-15
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis and Biological Evaluation of 1,3-Dideazapurine-Like 7-Amino-5-Hydroxymethyl-Benzimidazole Ribonucleoside Analogues as Aminoacyl-tRNA Synthetase Inhibitors.
Molecules, 25, 2020
7AP1
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Klebsiella pneumoniae Seryl-tRNA synthetase in Complex with Compound SerS7HMDDA
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Serine-tRNA ligase, ...
著者Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
登録日2020-10-15
公開日2020-11-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Synthesis and Biological Evaluation of 1,3-Dideazapurine-Like 7-Amino-5-Hydroxymethyl-Benzimidazole Ribonucleoside Analogues as Aminoacyl-tRNA Synthetase Inhibitors.
Molecules, 25, 2020
7AQL
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Crystal Structure of an Anti-Plasminogen Activator Inhibitor-1 (PAI-1) scFv antibody fragment (scFv-33H1F7)
分子名称: SULFATE ION, scFv-33H1F7
著者Sillen, M, Weeks, S.D, Strelkov, S.V, Declerck, P.J.
登録日2020-10-22
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of an Anti-Plasminogen Activator Inhibitor-1 (PAI-1) scFv antibody fragment (scFv-33H1F7)
To Be Published
6HDZ
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Pseudomonas aeruginosa Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-Sulfamoyl)uridine
分子名称: 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-Sulfamoyl)uridine, SODIUM ION, ...
著者Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
登録日2018-08-20
公開日2019-12-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
6HHZ
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Klebsiella pneumoniae Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)cytidine
分子名称: 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-sulfamoyl)cytidine, CALCIUM ION, ...
著者Pang, L, De Graef, S, Weeks, S.D, Strelkov, S.V.
登録日2018-08-29
公開日2019-12-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
6HB7
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Crystal structure of E. coli tyrRS in complex with 5'-O-(N-L-tyrosyl)sulfamoyl-N3-methyluridine
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Tyrosine--tRNA ligase, ...
著者De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D.
登録日2018-08-09
公開日2019-04-17
最終更新日2019-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases.
Eur.J.Med.Chem., 173, 2019
6HI0
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BU of 6hi0 by Molmil
Klebsiella pneumoniae Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-Sulfamoyl)uridine
分子名称: 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-Sulfamoyl)uridine, CALCIUM ION, ...
著者Pang, L, De Graef, S, Weeks, S.D, Strelkov, S.V.
登録日2018-08-29
公開日2019-12-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
6HE3
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Pseudomonas aeruginosa Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)cytidine
分子名称: 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-sulfamoyl)cytidine, SODIUM ION, ...
著者Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
登録日2018-08-20
公開日2019-12-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
6HHW
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Structure of T. thermophilus AspRS in Complex with 5'-O-(N-(L-aspartyl)-sulfamoyl)uridine
分子名称: 5'-O-(N-(L-aspartyl)-sulfamoyl)uridine, Aspartate--tRNA(Asp) ligase
著者De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D.
登録日2018-08-29
公開日2019-12-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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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