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2Y66
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BU of 2y66 by Molmil
New 5-Benzylidenethiazolidine-4-one Inhibitors of Bacterial MurD Ligase: Design, Synthesis, Crystal Structures, and Biological Evaluation
Descriptor: (2R)-2-[[3-[[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]carbonylamino]pentanedioic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Zidar, N, Tomasic, T, Sink, R, Kovac, A, Patin, D, Blanot, D, Contreras-Martel, C, Dessen, A, Muller-Premru, M, Zega, A, Gobec, S, Peterlin-Masic, L, Kikelj, D.
Deposit date:2011-01-20
Release date:2011-10-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:New 5-Benzylidenethiazolidin-4-One Inhibitors of Bacterial Murd Ligase: Design, Synthesis, Crystal Structures, and Biological Evaluation.
Eur.J.Med.Chem, 46, 2011
2Y67
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BU of 2y67 by Molmil
New 5-Benzylidenethiazolidine-4-one Inhibitors of Bacterial MurD Ligase: Design, Synthesis, Crystal Structures, and Biological Evaluation
Descriptor: (2R)-2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]sulfonylamino]pentanedioic acid, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE
Authors:Zidar, N, Tomasic, T, Sink, R, Kovac, A, Patin, D, Blanot, D, Contreras-Martel, C, Dessen, A, Muller-Premru, M, Zega, A, Gobec, S, Peterlin-Masic, L, Kikelj, D.
Deposit date:2011-01-20
Release date:2011-10-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:New 5-Benzylidenethiazolidin-4-One Inhibitors of Bacterial Murd Ligase: Design, Synthesis, Crystal Structures, and Biological Evaluation.
Eur.J.Med.Chem, 46, 2011
4Q5K
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BU of 4q5k by Molmil
Crystal structure of a N-acetylmuramoyl-L-alanine amidase (BACUNI_02947) from Bacteroides uniformis ATCC 8492 at 1.30 A resolution
Descriptor: (2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoic acid, SODIUM ION, Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-04-17
Release date:2014-05-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure-guided functional characterization of DUF1460 reveals a highly specific NlpC/P60 amidase family.
Structure, 22, 2014
4Q68
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Crystal structure of a N-acetylmuramoyl-L-alanine amidase (BACUNI_02947) from Bacteroides uniformis ATCC 8492 at 1.07 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-04-21
Release date:2014-05-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Structure-guided functional characterization of DUF1460 reveals a highly specific NlpC/P60 amidase family.
Structure, 22, 2014
2X5O
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BU of 2x5o by Molmil
Discovery of Novel 5-Benzylidenerhodanine- and 5-Benzylidene- thiazolidine-2,4-dione Inhibitors of MurD Ligase
Descriptor: AZIDE ION, CHLORIDE ION, N-({3-[({4-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL}AMINO)METHYL]PHENYL}CARBONYL)-D-GLUTAMIC ACID, ...
Authors:Zidar, N, Tomasic, T, Sink, R, Rupnik, V, Kovac, A, Turk, S, Contreras-Martel, C, Dessen, A, Blanot, D, Gobec, S, Zega, A, Peterlin-Masic, L, Kikelja, D.
Deposit date:2010-02-10
Release date:2010-09-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Discovery of novel 5-benzylidenerhodanine and 5-benzylidenethiazolidine-2,4-dione inhibitors of MurD ligase.
J. Med. Chem., 53, 2010
2WJP
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BU of 2wjp by Molmil
CRYSTAL STRUCTURE OF MURD LIGASE IN COMPLEX WITH D-GLU CONTAINING RHODANINE INHIBITOR
Descriptor: AZIDE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Tomasic, T, Zidar, N, Sink, R, Kovac, A, Rupnik, V, Turk, S, Contreras-Martel, C, Dessen, A, Blanot, D, Muller-Premru, M, Gobec, S, Zega, A, Peterlin-Masic, L, Kikelj, D.
Deposit date:2009-05-28
Release date:2010-08-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Novel 5-Benzylidenerhodanine and 5-Benzylidenethiazolidine-2,4-Dione Inhibitors of Murd Ligase.
J.Med.Chem., 53, 2010
2Y1O
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BU of 2y1o by Molmil
Dual-target Inhibitor of MurD and MurE Ligases: Design, Synthesis and Binding Mode Studies
Descriptor: (2R)-2-[[3-[[4-[(Z)-(4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL]METHYLAMINO]PHENYL]CARBONYLAMINO]PENTANEDIOIC ACID, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Tomasic, T, Sink, R, Kovac, A, Turk, S, Contreras-Martel, C, Dessen, A, Blanot, D, Gobec, S, Zega, A, Kikelj, D, Peterlin-Masic, L.
Deposit date:2010-12-09
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Dual Inhibitor of MurD and MurE Ligases from Escherichia coli and Staphylococcus aureus.
ACS Med Chem Lett, 3, 2012
4G75
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BU of 4g75 by Molmil
Structure of PaeM, a colicin M-like bacteriocin produced by Pseudomonas aeruginosa
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, phosphodiesterase
Authors:Touze, T, Graille, M, Mengin-Lecreulx, D.
Deposit date:2012-07-20
Release date:2012-09-12
Last modified:2012-11-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Functional and Structural Characterization of PaeM, a Colicin M-like Bacteriocin Produced by Pseudomonas aeruginosa.
J.Biol.Chem., 287, 2012
4G76
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BU of 4g76 by Molmil
Structure of PaeM, a colicin M-like bacteriocin produced by Pseudomonas aeruginosa
Descriptor: Phosphodiesterase
Authors:Touze, T, Graille, M, Mengin-Lecreulx, D.
Deposit date:2012-07-20
Release date:2012-09-12
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.385 Å)
Cite:Functional and Structural Characterization of PaeM, a Colicin M-like Bacteriocin Produced by Pseudomonas aeruginosa.
J.Biol.Chem., 287, 2012
7Z6K
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BU of 7z6k by Molmil
CRYSTAL STRUCTURE OF WEISSELLA VIRIDESCENS FEMXVV NON-RIBOSOMAL AMINO ACID TRANSFERASE IN COMPLEX WITH A PEPTIDYL-XNA CONJUGATE
Descriptor: 2'F-ANA (5'-D(P*(A5L)P*(CFL)P*(CFL))-R(P*(A9Z))-3'), GLYCEROL, N-acetyl-alpha-muramic acid, ...
Authors:Li de la Sierra-Gallay, I.
Deposit date:2022-03-11
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Amino-acyl tXNA as inhibitors or amino acid donors in peptide synthesis.
Nucleic Acids Res., 50, 2022
7Z5Y
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BU of 7z5y by Molmil
CRYSTAL STRUCTURE OF WEISSELLA VIRIDESCENS FEMXVV NON-RIBOSOMAL AMINO ACID TRANSFERASE IN COMPLEX WITH A PEPTIDYL-XNA CONJUGATE
Descriptor: GLYCEROL, HNA (5'-D(P*(6HA)P*(6HC)P*(6HC))-R(P*(A9Z))-3'), N-acetyl-alpha-muramic acid, ...
Authors:Li de la Sierra-Gallay, I.
Deposit date:2022-03-10
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Amino-acyl tXNA as inhibitors or amino acid donors in peptide synthesis.
Nucleic Acids Res., 50, 2022
7Z6A
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BU of 7z6a by Molmil
CRYSTAL STRUCTURE OF WEISSELLA VIRIDESCENS FEMXVV NON-RIBOSOMAL AMINO ACID TRANSFERASE IN COMPLEX WITH A PEPTIDYL-XNA CONJUGATE
Descriptor: 2'F-RNA (5'-D(*(GF2)P*(GF2)P*(CFZ)P*(CFZ)P*(AF2)P*(CFZ)P*(CFZ))-R(P*(A9Z))-3'), GLYCEROL, N-acetyl-alpha-muramic acid, ...
Authors:Li de la Sierra-Gallay, I.
Deposit date:2022-03-11
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Amino-acyl tXNA as inhibitors or amino acid donors in peptide synthesis.
Nucleic Acids Res., 50, 2022
7Z5Z
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BU of 7z5z by Molmil
CRYSTAL STRUCTURE OF WEISSELLA VIRIDESCENS FEMXVV NON-RIBOSOMAL AMINO ACID TRANSFERASE IN COMPLEX WITH A PEPTIDYL-XNA CONJUGATE
Descriptor: DNA (5'-D(P*AP*CP*C)-R(P*(A9Z))-3'), GLYCEROL, N-acetyl-alpha-muramic acid, ...
Authors:Li de la Sierra-Gallay, I.
Deposit date:2022-03-10
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Amino-acyl tXNA as inhibitors or amino acid donors in peptide synthesis.
Nucleic Acids Res., 50, 2022
4II9
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BU of 4ii9 by Molmil
Crystal structure of Weissella viridescens FemXVv non-ribosomal amino acid transferase in complex with a peptidyl-RNA conjugate
Descriptor: 5-mer peptide, FemX, GLYCEROL, ...
Authors:Li de la Sierra-Gallay, I, Fonvielle, M, van Tilbeurgh, H, Arthur, M, Etheve-Quelquejeu, M.
Deposit date:2012-12-20
Release date:2013-07-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:The Structure of FemXWv in Complex with a Peptidyl-RNA Conjugate: Mechanism of Aminoacyl Transfer from Ala-tRNA(Ala) to Peptidoglycan Precursors
Angew.Chem.Int.Ed.Engl., 52, 2013
6GYZ
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BU of 6gyz by Molmil
Crystal structure of GlmM from Staphylococcus aureus
Descriptor: Phosphoglucosamine mutase
Authors:Tosi, T, Freemont, P.S, Grundling, A.
Deposit date:2018-07-02
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Inhibition of the Staphylococcus aureus c-di-AMP cyclase DacA by direct interaction with the phosphoglucosamine mutase GlmM.
PLoS Pathog., 15, 2019
6GYW
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BU of 6gyw by Molmil
Crystal structure of DacA from Staphylococcus aureus
Descriptor: Diadenylate cyclase
Authors:Tosi, T, Freemont, P.S, Grundling, A.
Deposit date:2018-07-02
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition of the Staphylococcus aureus c-di-AMP cyclase DacA by direct interaction with the phosphoglucosamine mutase GlmM.
PLoS Pathog., 15, 2019
6GYY
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BU of 6gyy by Molmil
Crystal structure of DacA from Staphylococcus aureus, N166C/T172C double mutant
Descriptor: Diadenylate cyclase
Authors:Tosi, T, Freemont, P.S, Grundling, A.
Deposit date:2018-07-02
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Inhibition of the Staphylococcus aureus c-di-AMP cyclase DacA by direct interaction with the phosphoglucosamine mutase GlmM.
PLoS Pathog., 15, 2019
6GYX
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BU of 6gyx by Molmil
Crystal structure of DacA from Staphylococcus aureus in complex with ApCpp
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Diadenylate cyclase, MANGANESE (II) ION
Authors:Tosi, T, Freemont, P.S, Grundling, A.
Deposit date:2018-07-02
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Inhibition of the Staphylococcus aureus c-di-AMP cyclase DacA by direct interaction with the phosphoglucosamine mutase GlmM.
PLoS Pathog., 15, 2019
4H4J
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Crystal structure of a N-acetylmuramoyl-L-alanine amidase (BACUNI_02947) from Bacteroides uniformis ATCC 8492 at 1.15 A resolution
Descriptor: hypothetical protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-09-17
Release date:2012-10-17
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structure-guided functional characterization of DUF1460 reveals a highly specific NlpC/P60 amidase family.
Structure, 22, 2014
2Y68
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BU of 2y68 by Molmil
Structure-based design of a new series of D-glutamic acid-based inhibitors of bacterial MurD ligase
Descriptor: 2-[[2-fluoro-5-[[[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid, AZIDE ION, CHLORIDE ION, ...
Authors:Tomasic, T, Zidar, N, Sink, R, Kovac, A, Patin, D, Blanot, D, Contreras-Martel, C, Dessen, A, Muller-Premru, M, Zega, A, Gobec, S, Peterlin-Masic, L, Kikelj, D.
Deposit date:2011-01-20
Release date:2011-06-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structure-based design of a new series of D-glutamic acid based inhibitors of bacterial UDP-N-acetylmuramoyl-L-alanine:D-glutamate ligase (MurD).
J. Med. Chem., 54, 2011

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