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
 | | 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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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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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
 | | 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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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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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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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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2C3Y
 | | CRYSTAL STRUCTURE OF THE RADICAL FORM OF PYRUVATE:FERREDOXIN OXIDOREDUCTASE FROM Desulfovibrio africanus | | Descriptor: | 2-ACETYL-THIAMINE DIPHOSPHATE, CALCIUM ION, CARBON DIOXIDE, ... | | Authors: | Cavazza, C, Contreras-Martel, C, Pieulle, L, Chabriere, E, Hatchikian, E.C, Fontecilla-Camps, J.C. | | Deposit date: | 2005-10-13 | | Release date: | 2006-02-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Flexibility of Thiamine Diphosphate Revealed by Kinetic Crystallographic Studies of the Reaction of Pyruvate-Ferredoxin Oxidoreductase with Pyruvate.
Structure, 14, 2006
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3ZL8
 | | CRYSTAL STRUCTURE OF MURF LIGASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, UDP-N-ACETYLMURAMOYL-TRIPEPTIDE--D-ALANYL-D-ALANINE LIGASE | | Authors: | Favini-Stabile, S, Contreras-Martel, C, Thielens, N, Dessen, A. | | Deposit date: | 2013-01-29 | | Release date: | 2013-09-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Mreb and Murg as Scaffolds for the Cytoplasmic Steps of Peptidoglycan Biosynthesis
Environ.Microbiol., 15, 2013
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2C3U
 | | Crystal Structure Of Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio africanus, Oxygen inhibited form | | Descriptor: | 2-(3-{[4-(HYDROXYAMINO)-2-METHYLPYRIMIDIN-5-YL]METHYL}-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL)ETHYL TRIHYDROGEN DIPHOSPHATE, CALCIUM ION, IRON/SULFUR CLUSTER, ... | | Authors: | Cavazza, C, Contreras-Martel, C, Pieulle, L, Chabriere, E, Hatchikian, E.C, Fontecilla-Camps, J.C. | | Deposit date: | 2005-10-12 | | Release date: | 2006-02-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Flexibility of Thiamine Diphosphate Revealed by Kinetic Crystallographic Studies of the Reaction of Pyruvate-Ferredoxin Oxidoreductase with Pyruvate.
Structure, 14, 2006
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2C3O
 | | CRYSTAL STRUCTURE OF THE FREE RADICAL INTERMEDIATE OF PYRUVATE:FERREDOXIN OXIDOREDUCTASE FROM Desulfovibrio africanus | | Descriptor: | CALCIUM ION, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... | | Authors: | Cavazza, C, Contreras-Martel, C, Pieulle, L, Chabriere, E, Hatchikian, E.C, Fontecilla-Camps, J.C. | | Deposit date: | 2005-10-11 | | Release date: | 2006-02-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Flexibility of Thiamine Diphosphate Revealed by Kinetic Crystallographic Studies of the Reaction of Pyruvate-Ferredoxin Oxidoreductase with Pyruvate.
Structure, 14, 2006
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2C42
 | | Crystal Structure Of Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio africanus | | Descriptor: | CALCIUM ION, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... | | Authors: | Cavazza, C, Contreras-Martel, C, Pieulle, L, Chabriere, E, Hatchikian, E.C, Fontecilla-Camps, J.C. | | Deposit date: | 2005-10-14 | | Release date: | 2006-12-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Flexibility of Thiamine Diphosphate Revealed by Kinetic Crystallographic Studies of the Reaction of Pyruvate-Ferredoxin Oxidoreductase with Pyruvate.
Structure, 14, 2006
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2C3M
 | | Crystal Structure Of Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio africanus | | Descriptor: | CALCIUM ION, CHLORIDE ION, IRON/SULFUR CLUSTER, ... | | Authors: | Cavazza, C, Contreras-Martel, C, Pieulle, L, Chabriere, E, Hatchikian, E.C, Fontecilla-Camps, J.C. | | Deposit date: | 2005-10-11 | | Release date: | 2006-02-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Flexibility of Thiamine Diphosphate Revealed by Kinetic Crystallographic Studies of the Reaction of Pyruvate-Ferredoxin Oxidoreductase with Pyruvate.
Structure, 14, 2006
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2C3P
 | | CRYSTAL STRUCTURE OF THE FREE RADICAL INTERMEDIATE OF PYRUVATE:FERREDOXIN OXIDOREDUCTASE FROM Desulfovibrio africanus | | Descriptor: | 1-(2-{(2S,4R,5R)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-[(1S)-1-CARBOXY-1-HYDROXYETHYL]-4-METHYL-1,3-THIAZOLIDIN-5-YL}ETHOXY)-1,1,3,3-TETRAHYDROXY-1LAMBDA~5~-DIPHOSPHOX-1-EN-2-IUM 3-OXIDE, CALCIUM ION, IRON/SULFUR CLUSTER, ... | | Authors: | Cavazza, C, Contreras-Martel, C, Pieulle, L, Chabriere, E, Hatchikian, E.C, Fontecilla-Camps, J.C. | | Deposit date: | 2005-10-11 | | Release date: | 2006-02-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Flexibility of Thiamine Diphosphate Revealed by Kinetic Crystallographic Studies of the Reaction of Pyruvate-Ferredoxin Oxidoreductase with Pyruvate.
Structure, 14, 2006
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2BV8
 | | The crystal structure of Phycocyanin from Gracilaria chilensis. | | Descriptor: | C-PHYCOCYANIN ALPHA SUBUNIT, C-PHYCOCYANIN BETA SUBUNIT, PHYCOCYANOBILIN, ... | | Authors: | Contreras-Martel, C, Martinez-Oyanedel, J, Poo-Caama, G, Bruna, C, Bunster, M. | | Deposit date: | 2005-06-23 | | Release date: | 2006-08-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | The Structure at 2 A Resolution of Phycocyanin from Gracilaria Chilensis and the Energy Transfer Network in a Pc-Pc Complex.
Biophys.Chem., 125, 2007
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2C5W
 | | PENICILLIN-BINDING PROTEIN 1A (PBP-1A) ACYL-ENZYME COMPLEX (CEFOTAXIME) FROM STREPTOCOCCUS PNEUMONIAE | | Descriptor: | 1,2-ETHANEDIOL, CEFOTAXIME, C3' cleaved, ... | | Authors: | Contreras-Martel, C, Job, V, Di Guilmi, A.-M, Vernet, T, Dideberg, O, Dessen, A. | | Deposit date: | 2005-11-02 | | Release date: | 2005-12-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal Structure of Penicillin-Binding Protein 1A (Pbp1A) Reveals a Mutational Hotspot Implicated in Beta-Lactam Resistance in Streptococcus Pneumoniae.
J.Mol.Biol., 355, 2006
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2C6W
 | | PENICILLIN-BINDING PROTEIN 1A (PBP-1A) FROM STREPTOCOCCUS PNEUMONIAE | | Descriptor: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1A, ZINC ION | | Authors: | Contreras-Martel, C, Job, V, Di Guilmi, A.-M, Vernet, T, Dideberg, O, Dessen, A. | | Deposit date: | 2005-11-14 | | Release date: | 2005-12-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Crystal Structure of Penicillin-Binding Protein 1A (Pbp1A) Reveals a Mutational Hotspot Implicated in Beta-Lactam Resistance in Streptococcus Pneumoniae.
J.Mol.Biol., 355, 2006
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2UZA
 | | CRYSTAL STRUCTURE OF THE FREE RADICAL INTERMEDIATE OF PYRUVATE:FERREDOXIN OXIDOREDUCTASE FROM DESULFOVIBRIO AFRICANUS | | Descriptor: | 2-ACETYL-THIAMINE DIPHOSPHATE, CALCIUM ION, CARBON DIOXIDE, ... | | Authors: | Chabriere, E, Cavazza, C, Contreras-Martel, C, Fontecilla-Camps, J.C. | | Deposit date: | 2007-04-27 | | Release date: | 2008-05-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Flexibility of thiamine diphosphate revealed by kinetic crystallographic studies of the reaction of pyruvate-ferredoxin oxidoreductase with pyruvate.
Structure, 14, 2006
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2V3Q
 | | Serendipitous discovery and X-ray structure of a human phosphate binding apolipoprotein | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, HUMAN PHOSPHATE BINDING PROTEIN, ... | | Authors: | Morales, R, Berna, A, Carpentier, P, Elias, M, Contreras-Martel, C, Renault, F, Nicodeme, M, Chesne-Seck, M.-L, Bernier, F, Dupuy, J, Schaeffer, C, Diemer, H, Van Dorsselaer, A, Fontecilla, J.C, Masson, P, Rochu, D, Chabriere, E. | | Deposit date: | 2007-06-20 | | Release date: | 2008-07-22 | | Last modified: | 2016-01-27 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Tandem Use of X-Ray Crystallography and Mass Spectrometry to Obtain Ab Initio the Complete and Exact Amino Acids Sequence of Hpbp, a Human 38kDa Apolipoprotein
Proteins: Struct., Funct., Bioinf., 71, 2008
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2UWJ
 | | Structure of the heterotrimeric complex which regulates type III secretion needle formation | | Descriptor: | NICKEL (II) ION, TYPE III EXPORT PROTEIN PSCE, TYPE III EXPORT PROTEIN PSCF, ... | | Authors: | Quinaud, M, Ple, S, Job, V, Contreras-Martel, C, Simorre, J.P, Attree, I, Dessen, A. | | Deposit date: | 2007-03-22 | | Release date: | 2007-05-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the heterotrimeric complex that regulates type III secretion needle formation.
Proc. Natl. Acad. Sci. U.S.A., 104, 2007
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2X5O
 | | 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
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2WJP
 | | 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
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2WAD
 | | PENICILLIN-BINDING PROTEIN 2B (PBP-2B) FROM STREPTOCOCCUS PNEUMONIAE (STRAIN 5204) | | Descriptor: | PENICILLIN-BINDING PROTEIN 2B, ZINC ION | | Authors: | Contreras-Martel, C, Dahout-Gonzalez, C, Dos-Santos-Martins, A, Kotnik, M, Dessen, A. | | Deposit date: | 2009-02-05 | | Release date: | 2009-02-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Pbp Active Site Flexibility as the Key Mechanism for Beta-Lactam Resistance in Pneumococci
J.Mol.Biol., 387, 2009
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2W1J
 | | CRYSTAL STRUCTURE OF SORTASE C-1 (SRTC-1) from Streptococcus pneumoniae | | Descriptor: | GLYCEROL, PUTATIVE SORTASE | | Authors: | Manzano, C, Contreras-Martel, C, El Mortaji, L, Izore, T, Fenel, D, Vernet, T, Schoehn, G, Di Guilmi, A.M, Dessen, A. | | Deposit date: | 2008-10-17 | | Release date: | 2008-12-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Sortase-Mediated Pilus Fiber Biogenesis in Streptococcus Pneumoniae.
Structure, 16, 2008
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