5MKC
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![BU of 5mkc by Molmil](/molmil-images/mine/5mkc) | Crystal structure of the RrgA Jo.In complex | Descriptor: | CALCIUM ION, Cell wall surface anchor family protein (Jo),Cell wall surface anchor family protein (In), NICKEL (II) ION, ... | Authors: | Bonnet, J, Cartannaz, J, Tourcier, G, Contreras-Martel, C, Kleman, J.P, Fenel, D, Schoehn, G, Morlot, C, Vernet, T, Di Guilmi, A.M. | Deposit date: | 2016-12-03 | Release date: | 2017-03-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Autocatalytic association of proteins by covalent bond formation: a Bio Molecular Welding toolbox derived from a bacterial adhesin. Sci Rep, 7, 2017
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7BK8
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![BU of 7bk8 by Molmil](/molmil-images/mine/7bk8) | X-ray crystal structure of Pseudomonas aeruginosa MagC | Descriptor: | MagC, PHOSPHATE ION | Authors: | Zouhir, S, Contreras-Martel, C, Maragno Trindade, D, Attree, I, Dessen, A, Macheboeuf, P. | Deposit date: | 2021-01-15 | Release date: | 2021-07-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | MagC is a NplC/P60-like member of the alpha-2-macroglobulin Mag complex of Pseudomonas aeruginosa that interacts with peptidoglycan. Febs Lett., 595, 2021
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6FQB
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![BU of 6fqb by Molmil](/molmil-images/mine/6fqb) | MurT/GatD peptidoglycan amidotransferase complex from Streptococcus pneumoniae R6 | Descriptor: | Cobyric acid synthase, GLUTAMINE, Mur ligase family protein | Authors: | Morlot, C, Contreras-Martel, C, Leisico, F, Straume, D, Peters, K, Hegnar, O.A, Simon, N, Villard, A.M, Breukink, E, Gravier-Pelletier, C, Le Corre, L, Vollmer, W, Pietrancosta, N, Havarstein, L.S, Zapun, A. | Deposit date: | 2018-02-13 | Release date: | 2018-08-22 | Last modified: | 2018-11-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the essential peptidoglycan amidotransferase MurT/GatD complex from Streptococcus pneumoniae. Nat Commun, 9, 2018
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6GZ8
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![BU of 6gz8 by Molmil](/molmil-images/mine/6gz8) | First GerMN domain of the sporulation protein GerM from Bacillus subtilis | Descriptor: | 1,2-ETHANEDIOL, SODIUM ION, Spore germination protein GerM | Authors: | Trouve, J, Mohamed, A, Leisico, F, Contreras-Martel, C, Liu, B, Mas, C, Rudner, D.Z, Rodrigues, C.D.A, Morlot, C. | Deposit date: | 2018-07-03 | Release date: | 2018-10-10 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structural characterization of the sporulation protein GerM from Bacillus subtilis. J. Struct. Biol., 204, 2018
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1EYX
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![BU of 1eyx by Molmil](/molmil-images/mine/1eyx) | CRYSTAL STRUCTURE OF R-PHYCOERYTHRIN AT 2.2 ANGSTROMS | Descriptor: | BILIVERDINE IX ALPHA, PHYCOCYANOBILIN, PHYCOUROBILIN, ... | Authors: | Contreras-Martel, C, Legrand, P, Piras, C, Vernede, X, Martinez-Oyanedel, J, Bunster, M, Fontecilla-Camps, J.C. | Deposit date: | 2000-05-09 | Release date: | 2000-11-22 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystallization and 2.2 A resolution structure of R-phycoerythrin from Gracilaria chilensis: a case of perfect hemihedral twinning. Acta Crystallogr.,Sect.D, 57, 2001
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2Y68
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![BU of 2y68 by Molmil](/molmil-images/mine/2y68) | 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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7PEG
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![BU of 7peg by Molmil](/molmil-images/mine/7peg) | Structure of the sporulation/germination protein YhcN from Bacillus subtilis | Descriptor: | Probable spore germination lipoprotein YhcN | Authors: | Liu, B, Chan, H, Bauda, E, Contreras-Martel, C, Bellard, L, Villard, A.M, Mas, C, Neumann, E, Fenel, D, Favier, A, Serrano, M, Henriques, A.O.H, Rodrigues, C.D.A, Morlot, C. | Deposit date: | 2021-08-10 | Release date: | 2022-08-24 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural insights into ring-building motif domains involved in bacterial sporulation. J.Struct.Biol., 214, 2022
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2Y66
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![BU of 2y66 by Molmil](/molmil-images/mine/2y66) | 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
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2Y2K
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![BU of 2y2k by Molmil](/molmil-images/mine/2y2k) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA5) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, ... | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C, Dessen, A. | Deposit date: | 2010-12-15 | Release date: | 2011-08-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa). Acs Chem.Biol, 6, 2011
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5A5F
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![BU of 5a5f by Molmil](/molmil-images/mine/5a5f) | CRYSTAL STRUCTURE OF MURD LIGASE FROM ESCHERICHIA COLI IN COMPLEX WITH UMA AND ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MALONATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE, ... | Authors: | Sink, R, Kotnik, M, Zega, A, Barreteau, H, Gobec, S, Blanot, D, Dessen, A, Contreras-Martel, C. | Deposit date: | 2015-06-17 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic Study of Peptidoglycan Biosynthesis Enzyme MurD: Domain Movement Revisited. PLoS ONE, 11, 2016
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5A5E
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![BU of 5a5e by Molmil](/molmil-images/mine/5a5e) | CRYSTAL STRUCTURE OF MURD LIGASE FROM ESCHERICHIA COLI | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, NICKEL (II) ION, SULFATE ION, ... | Authors: | Sink, R, Kotnik, M, Zega, A, Barreteau, H, Gobec, S, Blanot, D, Dessen, A, Contreras-Martel, C. | Deposit date: | 2015-06-17 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystallographic Study of Peptidoglycan Biosynthesis Enzyme MurD: Domain Movement Revisited. PLoS ONE, 11, 2016
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5FYA
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![BU of 5fya by Molmil](/molmil-images/mine/5fya) | Cubic crystal of the native PlpD | Descriptor: | PATATIN-LIKE PROTEIN, PLPD | Authors: | Vinicius da Mata Madeira, P, Zouhir, S, Basso, P, Neves, D, Laubier, A, Salacha, R, Bleves, S, Faudry, E, Contreras-Martel, C, Dessen, A. | Deposit date: | 2016-03-04 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.141 Å) | Cite: | Structural Basis of Lipid Targeting and Destruction by the Type V Secretion System of Pseudomonas Aeruginosa. J.Mol.Biol., 428, 2016
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5FQU
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![BU of 5fqu by Molmil](/molmil-images/mine/5fqu) | Orthorhombic crystal structure of of PlpD (selenomethionine derivative) | Descriptor: | AZIDE ION, PATATIN-LIKE PROTEIN, PLPD, ... | Authors: | Vinicius da Mata Madeira, P, Zouhir, S, Basso, P, Neves, D, Laubier, A, Salacha, R, Bleves, S, Faudry, E, Contreras-Martel, C, Dessen, A. | Deposit date: | 2015-12-14 | Release date: | 2016-04-06 | Last modified: | 2017-09-27 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Structural Basis of Lipid Targeting and Destruction by the Type V Secretion System of Pseudomonas Aeruginosa. J.Mol.Biol., 428, 2016
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6GZB
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![BU of 6gzb by Molmil](/molmil-images/mine/6gzb) | Tandem GerMN domains of the sporulation protein GerM from Bacillus subtilis | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Spore germination protein GerM | Authors: | Trouve, J, Mohamed, A, Leisico, F, Contreras-Martel, C, Liu, B, Mas, C, Rudner, D.Z, Rodrigues, C.D.A, Morlot, C. | Deposit date: | 2018-07-03 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural characterization of the sporulation protein GerM from Bacillus subtilis. J. Struct. Biol., 204, 2018
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5LP4
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![BU of 5lp4 by Molmil](/molmil-images/mine/5lp4) | Penicillin-Binding Protein (PBP2) from Helicobacter pylori | Descriptor: | Penicillin-binding protein 2 (Pbp2), SULFATE ION | Authors: | Contreras-Martel, C, Martins, A, Ecobichon, C, Maragno, D.M, Mattei, P.J, El Ghachi, M, Boneca, I.G, Dessen, A. | Deposit date: | 2016-08-11 | Release date: | 2017-08-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Molecular architecture of the PBP2-MreC core bacterial cell wall synthesis complex. Nat Commun, 8, 2017
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4BUB
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![BU of 4bub by Molmil](/molmil-images/mine/4bub) | CRYSTAL STRUCTURE OF MURE LIGASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, UDP-N-ACETYLMURAMOYL-L-ALANYL-D-GLUTAMATE--LD-LYSINE LIGASE | Authors: | Favini-Stabile, S, Contreras-Martel, C, Thielens, N, Dessen, A. | Deposit date: | 2013-06-20 | Release date: | 2013-07-17 | Last modified: | 2013-12-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Mreb and Murg as Scaffolds for the Cytoplasmic Steps of Peptidoglycan Biosynthesis Environ.Microbiol., 15, 2013
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5LP5
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![BU of 5lp5 by Molmil](/molmil-images/mine/5lp5) | Complex between Penicillin-Binding Protein (PBP2) and MreC from Helicobacter pylori | Descriptor: | Penicillin-binding protein 2 (Pbp2), Rod shape-determining protein (MreC) | Authors: | Contreras-Martel, C, Martins, A, Ecobichon, C, Maragno, D.M, Mattei, P.J, El Ghachi, M, Hicham, S, Hardouin, P, Boneca, I.G, Dessen, A. | Deposit date: | 2016-08-11 | Release date: | 2017-08-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Molecular architecture of the PBP2-MreC core bacterial cell wall synthesis complex. Nat Commun, 8, 2017
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4BUC
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![BU of 4buc by Molmil](/molmil-images/mine/4buc) | CRYSTAL STRUCTURE OF MURD LIGASE FROM THERMOTOGA MARITIMA IN APO FORM | Descriptor: | AMMONIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Favini-Stabile, S, Contreras-Martel, C, Thielens, N, Dessen, A. | Deposit date: | 2013-06-20 | Release date: | 2013-07-17 | Last modified: | 2013-12-18 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Mreb and Murg as Scaffolds for the Cytoplasmic Steps of Peptidoglycan Biosynthesis Environ.Microbiol., 15, 2013
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4AKX
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![BU of 4akx by Molmil](/molmil-images/mine/4akx) | Structure of the heterodimeric complex ExoU-SpcU from the type III secretion system (T3SS) of Pseudomonas aeruginosa | Descriptor: | EXOU, SPCU | Authors: | Gendrin, C, Contreras-Martel, C, Bouillot, S, Elsen, S, Lemaire, D, Skoufias, D.A, Huber, P, Attree, I, Dessen, A. | Deposit date: | 2012-02-29 | Release date: | 2012-04-18 | Last modified: | 2012-05-30 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Structural Basis of Cytotoxicity Mediated by the Type III Secretion Toxin Exou from Pseudomonas Aeruginosa Plos Pathog., 8, 2012
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2Y2J
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![BU of 2y2j by Molmil](/molmil-images/mine/2y2j) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA4) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, ... | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | Deposit date: | 2010-12-15 | Release date: | 2011-08-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa). Acs Chem.Biol, 6, 2011
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2XPC
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![BU of 2xpc by Molmil](/molmil-images/mine/2xpc) | Second-generation sulfonamide inhibitors of MurD: Activity optimisation with conformationally rigid analogues of D-glutamic acid | Descriptor: | (1R,3R,4S)-4-[({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)AMINO]CYCLOHEXANE-1,3-DICARBOXYLIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Sosic, I, Barreteau, H, Simcic, M, Sink, R, Cesar, J, Golic-Grdadolnik, S, Contreras-Martel, C, Dessen, A, Amoroso, A, Joris, B, Blanot, D, Gobec, S. | Deposit date: | 2010-08-26 | Release date: | 2011-05-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Second-Generation Sulfonamide Inhibitors of D- Glutamic Acid-Adding Enzyme: Activity Optimisation with Conformationally Rigid Analogues of D- Glutamic Acid. Eur.J.Med.Chem, 46, 2011
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2Y2H
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![BU of 2y2h by Molmil](/molmil-images/mine/2y2h) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA2) | Descriptor: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ... | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | Deposit date: | 2010-12-15 | Release date: | 2011-08-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa). Acs Chem.Biol., 6, 2011
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2Y2P
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![BU of 2y2p by Molmil](/molmil-images/mine/2y2p) | Penicillin-binding protein 1b (pbp-1b) in complex with an alkyl boronate (z10) | Descriptor: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ... | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | Deposit date: | 2010-12-15 | Release date: | 2011-08-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa). Acs Chem.Biol., 6, 2011
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2Y1O
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![BU of 2y1o by Molmil](/molmil-images/mine/2y1o) | 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
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2Y2L
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![BU of 2y2l by Molmil](/molmil-images/mine/2y2l) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (E06) | Descriptor: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ... | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | Deposit date: | 2010-12-15 | Release date: | 2011-08-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa). Acs Chem.Biol., 6, 2011
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