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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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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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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6ZLV
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![BU of 6zlv by Molmil](/molmil-images/mine/6zlv) | MreC | Descriptor: | Rod shape-determining protein MreC | Authors: | Estrozi, L.F, Contreras-Martel, C. | Deposit date: | 2020-07-01 | Release date: | 2021-03-17 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Self-association of MreC as a regulatory signal in bacterial cell wall elongation. Nat Commun, 12, 2021
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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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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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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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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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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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6I2V
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![BU of 6i2v by Molmil](/molmil-images/mine/6i2v) | Pilotin from Vibrio vulnificus type 2 secretion system, EpsS. | Descriptor: | 1,2-ETHANEDIOL, PENTAETHYLENE GLYCOL, SULFATE ION, ... | Authors: | Howard, S.P, Estrozi, L, Bertrand, Q, Contreras-Martel, C, Strozen, T, Job, V, Martins, A, Fenel, D, Schoehn, G, Dessen, A. | Deposit date: | 2018-11-02 | Release date: | 2019-04-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and assembly of pilotin-dependent and -independent secretins of the type II secretion system. Plos Pathog., 15, 2019
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2JFG
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![BU of 2jfg by Molmil](/molmil-images/mine/2jfg) | Crystal structure of MurD ligase in complex with UMA and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE, ... | Authors: | Kotnik, M, Humljan, J, Contreras-Martel, C, Oblak, M, Kristan, K, Herve, M, Blanot, D, Urleb, U, Gobec, S, Dessen, A, Solmajer, T. | Deposit date: | 2007-02-01 | Release date: | 2007-05-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structural and functional characterization of enantiomeric glutamic acid derivatives as potential transition state analogue inhibitors of MurD ligase. J. Mol. Biol., 370, 2007
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2JFH
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![BU of 2jfh by Molmil](/molmil-images/mine/2jfh) | Crystal structure of MurD ligase in complex with L-Glu containing sulfonamide inhibitor | Descriptor: | N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-L-GLUTAMIC ACID, SULFATE ION, UDP-N-ACETYLMURAMOYL-ALANINE-D-GLUTAMATE LIGASE | Authors: | Kotnik, M, Humljan, J, Contreras-Martel, C, Oblak, M, Kristan, K, Herve, M, Blanot, D, Urleb, U, Gobec, S, Dessen, A, Solmajer, T. | Deposit date: | 2007-02-01 | Release date: | 2007-05-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural and Functional Characterization of Enantiomeric Glutamic Acid Derivatives as Potential Transition State Analogue Inhibitors of Murd Ligase. J.Mol.Biol., 370, 2007
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2JFF
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![BU of 2jff by Molmil](/molmil-images/mine/2jff) | Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor | Descriptor: | N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-D-GLUTAMIC ACID, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | Authors: | Kotnik, M, Humljan, J, Contreras-Martel, C, Oblak, M, Kristan, K, Herve, M, Blanot, D, Urleb, U, Gobec, S, Dessen, A, Solmajer, T. | Deposit date: | 2007-02-01 | Release date: | 2007-05-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural and Functional Characterization of Enantiomeric Glutamic Acid Derivatives as Potential Transition State Analogue Inhibitors of Murd Ligase. J.Mol.Biol., 370, 2007
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7ZUI
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![BU of 7zui by Molmil](/molmil-images/mine/7zui) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 5Az - Streptococcus pneumoniae R6 | Descriptor: | 6-azido-N-[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | Deposit date: | 2022-05-12 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones. Acs Chem.Biol., 17, 2022
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7ZUH
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![BU of 7zuh by Molmil](/molmil-images/mine/7zuh) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) Streptococcus pneumoniae R6 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Penicillin-binding protein 1b | Authors: | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | Deposit date: | 2022-05-12 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.467 Å) | Cite: | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones. Acs Chem.Biol., 17, 2022
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7ZUJ
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![BU of 7zuj by Molmil](/molmil-images/mine/7zuj) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 6Az - Streptococcus pneumoniae R6 | Descriptor: | 6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | Deposit date: | 2022-05-12 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones. Acs Chem.Biol., 17, 2022
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7ZUK
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![BU of 7zuk by Molmil](/molmil-images/mine/7zuk) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 7Az - Streptococcus pneumoniae R6 | Descriptor: | 6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | Deposit date: | 2022-05-12 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.631 Å) | Cite: | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones. Acs Chem.Biol., 17, 2022
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7ZUL
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![BU of 7zul by Molmil](/molmil-images/mine/7zul) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with 8Az lactone - Streptococcus pneumoniae R6 | Descriptor: | 6-azido-N-[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide, CHLORIDE ION, Penicillin-binding protein 1b | Authors: | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | Deposit date: | 2022-05-12 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.744 Å) | Cite: | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones. Acs Chem.Biol., 17, 2022
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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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3ZM5
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![BU of 3zm5 by Molmil](/molmil-images/mine/3zm5) | CRYSTAL STRUCTURE OF MURF LIGASE IN COMPLEX WITH CYANOTHIOPHENE INHIBITOR | Descriptor: | 2,4-bis(chloranyl)-N-[3-cyano-6-[(4-hydroxyphenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-5-morpholin-4-ylsulfonyl-benzamide, UDP-N-ACETYLMURAMOYL-TRIPEPTIDE--D-ALANYL-D-ALANINE LIGASE | Authors: | Hrast, M, Turk, S, Sosic, I, Knez, D, Randall, C.P, Barreteau, H, Contreras-Martel, C, Dessen, A, ONeill, A.J, Mengin-Lecreulx, D, Blanot, D, Gobec, S. | Deposit date: | 2013-02-05 | Release date: | 2013-07-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Structure-Activity Relationships of New Cyanothiophene Inhibitors of the Essential Peptidoglycan Biosynthesis Enzyme Murf. Eur.J.Med.Chem., 66C, 2013
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3ZM6
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![BU of 3zm6 by Molmil](/molmil-images/mine/3zm6) | CRYSTAL STRUCTURE OF MURF LIGASE IN COMPLEX WITH CYANOTHIOPHENE INHIBITOR | Descriptor: | N-(6-(4-(2h-tetrazol-5-yl)benzyl)-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,4-dichloro-5-(morpholinosulfonyl)benzamide, UDP-N-ACETYLMURAMOYL-TRIPEPTIDE--D-ALANYL-D-ALANINE LIGASE | Authors: | Hrast, M, Turk, S, Sosic, I, Knez, D, Randall, C.P, Barreteau, H, Contreras-Martel, C, Dessen, A, ONeill, A.J, Mengin-Lecreulx, D, Blanot, D, Gobec, S. | Deposit date: | 2013-02-05 | Release date: | 2013-07-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure-Activity Relationships of New Cyanothiophene Inhibitors of the Essential Peptidoglycan Biosynthesis Enzyme Murf. Eur.J.Med.Chem., 66C, 2013
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6BZX
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![BU of 6bzx by Molmil](/molmil-images/mine/6bzx) | Structure of the artificial complex alpha-Rep/Octarellin V.1 crystallized by counter diffusion in a capillary | Descriptor: | Octarellin V.1, SODIUM ION, alpha-Rep | Authors: | Aedo, F, Contreras-Martel, C, Martinez-Oyanedel, J, Bunster, M, Minard, P, Van de Weerdt, C, Figueroa, M. | Deposit date: | 2017-12-26 | Release date: | 2019-01-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.107 Å) | Cite: | Crystallization of the artificial complex alpha-Rep/Octarellin V.1 by counter diffusion allowed to have a most complete structure To Be Published
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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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