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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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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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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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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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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6I1Y
 | | Vibrio vulnificus EpsD | | Descriptor: | General secretion pathway protein GspD | | Authors: | Contreras-Martel, C, Farias Estrozi, L. | | Deposit date: | 2018-10-30 | | Release date: | 2019-04-10 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.4 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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6I1X
 | | Aeromonas hydrophila ExeD | | Descriptor: | Type II secretion system protein D | | Authors: | Contreras-Martel, C, Farias Estrozi, L. | | Deposit date: | 2018-10-30 | | Release date: | 2019-04-10 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.7 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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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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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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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
 | | 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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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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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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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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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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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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2UUO
 | | Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor | | Descriptor: | N-{[6-(PENTYLOXY)NAPHTHALEN-2-YL]SULFONYL}-D-GLUTAMIC ACID, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | | Authors: | Humljan, J, Kotnik, M, Contreras-Martel, C, Blanot, D, Urleb, U, Dessen, A, Solmajer, T, Gobec, S. | | Deposit date: | 2007-03-06 | | Release date: | 2008-03-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Novel naphthalene-N-sulfonyl-D-glutamic acid derivatives as inhibitors of MurD, a key peptidoglycan biosynthesis enzyme.
J. Med. Chem., 51, 2008
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2UUP
 | | Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor | | Descriptor: | N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | | Authors: | Humljan, J, Kotnik, M, Contreras-Martel, C, Blanot, D, Urleb, U, Dessen, A, Solmajer, T, Gobec, S. | | Deposit date: | 2007-03-06 | | Release date: | 2008-03-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Novel naphthalene-N-sulfonyl-D-glutamic acid derivatives as inhibitors of MurD, a key peptidoglycan biosynthesis enzyme.
J. Med. Chem., 51, 2008
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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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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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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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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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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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