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