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6FTB
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BU of 6ftb by Molmil
Staphylococcus aureus monofunctional glycosyltransferase in complex with moenomycin
分子名称: (2R)-2,3-dihydroxypropyl dodecanoate, 1,2-ETHANEDIOL, MOENOMYCIN, ...
著者Punekar, A.S, Dowson, C.J, Roper, D.I.
登録日2018-02-20
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The role of the jaw subdomain of peptidoglycan glycosyltransferases for lipid II polymerization.
Cell Surf, 2, 2018
4BLU
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BU of 4blu by Molmil
Crystal structure of Escherichia coli 23S rRNA (A2030-N6)- methyltransferase RlmJ
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
著者Punekar, A.S, Liljeruhm, J, Shepherd, T.R, Forster, A.C, Selmer, M.
登録日2013-05-04
公開日2013-08-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and Functional Insights Into the Molecular Mechanism of Rrna M6A Methyltransferase Rlmj.
Nucleic Acids Res., 41, 2013
4AUK
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BU of 4auk by Molmil
Crystal structure of C2498 2'-O-ribose methyltransferase RlmM from Escherichia coli
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
著者Punekar, A.S, Shepherd, T.R, Liljeruhm, J, Forster, A.C, Selmer, M.
登録日2012-05-18
公開日2012-08-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Rlmm, the 2'O-Ribose Methyltransferase for C2498 of Escherichia Coli 23S Rrna.
Nucleic Acids Res., 40, 2012
4ATN
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BU of 4atn by Molmil
Crystal structure of C2498 2'-O-ribose methyltransferase RlmM from Escherichia coli
分子名称: 1,2-ETHANEDIOL, GLYCEROL, RIBOSOMAL RNA LARGE SUBUNIT METHYLTRANSFERASE M, ...
著者Punekar, A.S, Shepherd, T.R, Liljeruhm, J, Forster, A.C, Selmer, M.
登録日2012-05-08
公開日2012-08-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of Rlmm, the 2'O-Ribose Methyltransferase for C2498 of Escherichia Coli 23S Rrna.
Nucleic Acids Res., 40, 2012
4B17
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BU of 4b17 by Molmil
Crystal structure of C2498 2'-O-ribose methyltransferase RlmM from Escherichia coli in complex with S-adenosylmethionine
分子名称: 1,2-ETHANEDIOL, GLYCEROL, RIBOSOMAL RNA LARGE SUBUNIT METHYLTRANSFERASE M, ...
著者Punekar, A.S, Shepherd, T.R, Liljeruhm, J, Forster, A.C, Selmer, M.
登録日2012-07-07
公開日2012-08-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of Rlmm, the 2'O-Ribose Methyltransferase for C2498 of Escherichia Coli 23S Rrna.
Nucleic Acids Res., 40, 2012
4BLW
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BU of 4blw by Molmil
Crystal structure of Escherichia coli 23S rRNA (A2030-N6)- methyltransferase RlmJ in complex with S-adenosylhomocysteine (AdoHcy) and Adenosine monophosphate (AMP)
分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, GLYCEROL, ...
著者Punekar, A.S, Liljeruhm, J, Shepherd, T.R, Forster, A.C, Selmer, M.
登録日2013-05-04
公開日2013-08-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and Functional Insights Into the Molecular Mechanism of Rrna M6A Methyltransferase Rlmj.
Nucleic Acids Res., 41, 2013
4BLV
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BU of 4blv by Molmil
Crystal structure of Escherichia coli 23S rRNA (A2030-N6)- methyltransferase RlmJ in complex with S-adenosylmethionine (AdoMet)
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Punekar, A.S, Liljeruhm, J, Shepherd, T.R, Forster, A.C, Selmer, M.
登録日2013-05-04
公開日2013-08-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Functional Insights Into the Molecular Mechanism of Rrna M6A Methyltransferase Rlmj.
Nucleic Acids Res., 41, 2013
5FO5
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BU of 5fo5 by Molmil
Structure of the DNA-binding domain of Escherichia coli methionine biosynthesis regulator MetR
分子名称: 1,2-ETHANEDIOL, HTH-TYPE TRANSCRIPTIONAL REGULATOR METR, MAGNESIUM ION
著者Punekar, A.S, Porter, J, Urbanowski, M.L, Stauffer, G.V, Carr, S.B, Phillips, S.E.
登録日2015-11-18
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structural Basis for DNA Recognition by the Transcription Regulator Metr.
Acta Crystallogr.,Sect.F, 72, 2016
8Q0U
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BU of 8q0u by Molmil
Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity
分子名称: Polyketide synthase Pks13, SULFATE ION, ~{N}-[(1~{R})-2-[4-(azetidin-1-ylcarbonyl)phenyl]-1-cyano-ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
著者Eadsforth, T.C, Punekar, A.S, Green, S.R, Baragana, B.
登録日2023-07-29
公開日2023-11-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity.
J.Med.Chem., 66, 2023
8Q0T
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BU of 8q0t by Molmil
Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity
分子名称: 3-(3,4-dimethoxyphenyl)-~{N}-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide, Polyketide synthase Pks13
著者Eadsforth, T.C, Punekar, A.S, Green, S.R, Baragana, B.
登録日2023-07-29
公開日2023-11-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity.
J.Med.Chem., 66, 2023
8Q17
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BU of 8q17 by Molmil
Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity
分子名称: (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol, GLYCEROL, Polyketide synthase Pks13, ...
著者Eadsforth, T.C, Punekar, A.S, Green, S.R, Baragana, B.
登録日2023-07-30
公開日2023-11-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity.
J.Med.Chem., 66, 2023
4AMH
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BU of 4amh by Molmil
Influence of circular permutation on the folding pathway of a PDZ domain
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DISKS LARGE HOMOLOG 1, GLYCEROL
著者Hultqvist, G, Punekar, A.S, Chi, C.N, Selmer, M, Gianni, S, Jemth, P.
登録日2012-03-10
公開日2012-12-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tolerance of Protein Folding to a Circular Permutation in a Pdz Domain
Plos One, 7, 2012
6R1N
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BU of 6r1n by Molmil
Crystal structure of S. aureus seryl-tRNA synthetase complexed to seryl sulfamoyl adenosine
分子名称: 1,2-ETHANEDIOL, 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, DI(HYDROXYETHYL)ETHER, ...
著者Salimraj, R, Cain, R, Roper, D.I.
登録日2019-03-14
公開日2020-01-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-tRNA Synthetase.
J.Med.Chem., 62, 2019
6R1O
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BU of 6r1o by Molmil
Crystal structure of E. coli seryl-tRNA synthetase complexed to a seryl sulfamoyl adenosine derivative
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Salimraj, R, Cain, R, Roper, D.I.
登録日2019-03-14
公開日2020-01-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-tRNA Synthetase.
J.Med.Chem., 62, 2019
6R1M
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BU of 6r1m by Molmil
Crystal structure of E. coli seryl-tRNA synthetase complexed to seryl sulfamoyl adenosine
分子名称: 1,2-ETHANEDIOL, 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, PHOSPHATE ION, ...
著者Salimraj, R, Cain, R, Roper, D.I.
登録日2019-03-14
公開日2020-01-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-tRNA Synthetase.
J.Med.Chem., 62, 2019
7DCT
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BU of 7dct by Molmil
Crystal structure of HSF1 DNA-binding domain in complex with 3-site HSE DNA (24 bp)
分子名称: DNA (5'-D(*AP*CP*TP*CP*GP*CP*GP*AP*AP*TP*AP*TP*TP*CP*TP*AP*GP*AP*AP*CP*GP*CP*AP*C)-3'), DNA (5'-D(*TP*GP*TP*GP*CP*GP*TP*TP*CP*TP*AP*GP*AP*AP*TP*AP*TP*TP*CP*GP*CP*GP*AP*G)-3'), Heat shock factor protein 1, ...
著者Feng, N, Liu, W.
登録日2020-10-27
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structures of heat shock factor trimers bound to DNA.
Iscience, 24, 2021
7DCJ
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BU of 7dcj by Molmil
Crystal structure of HSF1 DNA-binding domain in complex with 2-site HSE DNA in the head-to-head orientation
分子名称: DNA (5'-D(*GP*CP*CP*GP*AP*AP*TP*AP*TP*TP*CP*GP*G)-3'), Heat shock factor protein 1, SODIUM ION
著者Feng, N, Liu, W.
登録日2020-10-26
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Structures of heat shock factor trimers bound to DNA.
Iscience, 24, 2021
7DCU
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BU of 7dcu by Molmil
Crystal structure of HSF2 DNA-binding domain in complex with 3-site HSE DNA (21 bp)
分子名称: DNA (5'-D(*AP*CP*CP*GP*CP*GP*AP*AP*TP*AP*TP*TP*CP*TP*AP*GP*AP*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*TP*TP*CP*TP*AP*GP*AP*AP*TP*AP*TP*TP*CP*GP*CP*GP*G)-3'), Heat shock factor protein 2, ...
著者Feng, N, Liu, W.
登録日2020-10-27
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structures of heat shock factor trimers bound to DNA.
Iscience, 24, 2021
7DCS
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BU of 7dcs by Molmil
Crystal structure of HSF1 DNA-binding domain in complex with 3-site HSE DNA (23 bp)
分子名称: DNA (5'-D(*AP*TP*CP*CP*GP*CP*GP*AP*AP*TP*AP*TP*TP*CP*TP*AP*GP*AP*AP*CP*GP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*CP*GP*TP*TP*CP*TP*AP*GP*AP*AP*TP*AP*TP*TP*CP*GP*CP*GP*GP*A)-3'), Heat shock factor protein 1, ...
著者Feng, N, Liu, W.
登録日2020-10-27
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of heat shock factor trimers bound to DNA.
Iscience, 24, 2021

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