2C3O
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![BU of 2c3o by Molmil](/molmil-images/mine/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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2C3U
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![BU of 2c3u by Molmil](/molmil-images/mine/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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2C42
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![BU of 2c42 by Molmil](/molmil-images/mine/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
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![BU of 2c3m by Molmil](/molmil-images/mine/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
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![BU of 2c3y by Molmil](/molmil-images/mine/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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2C3P
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![BU of 2c3p by Molmil](/molmil-images/mine/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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2UZA
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![BU of 2uza by Molmil](/molmil-images/mine/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
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![BU of 2v3q by Molmil](/molmil-images/mine/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
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![BU of 2uwj by Molmil](/molmil-images/mine/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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2Y1V
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![BU of 2y1v by Molmil](/molmil-images/mine/2y1v) | Full length structure of RrgB Pilus protein from Streptococcus pneumoniae | Descriptor: | CELL WALL SURFACE ANCHOR FAMILY PROTEIN, NICKEL (II) ION | Authors: | El-Mortaji, L, Contreras-Martel, C, Manzano, C, Vernet, T, Dessen, A, DiGuilmi, A.M. | Deposit date: | 2010-12-10 | Release date: | 2011-11-09 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | The Full-Length Streptococcus Pneumoniae Major Pilin Rrgb Crystallizes in a Fibre-Like Structure, which Presents the D1 Isopeptide Bond and Provides Details on the Mechanism of Pilus Polymerization. Biochem.J., 441, 2012
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2W1J
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![BU of 2w1j by Molmil](/molmil-images/mine/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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2W1K
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![BU of 2w1k by Molmil](/molmil-images/mine/2w1k) | Crystal Structure of Sortase C-3 (SRTC-3) from Streptococcus pneumoniae | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Sortase-Mediated Pilus Fiber Biogenesis in Streptococcus Pneumoniae. Structure, 16, 2008
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2WW8
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![BU of 2ww8 by Molmil](/molmil-images/mine/2ww8) | Structure of the pilus adhesin (RrgA) from Streptococcus pneumoniae | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CELL WALL SURFACE ANCHOR FAMILY PROTEIN, ... | Authors: | Izore, T, Contreras-Martel, C, El-Mortaji, L, Manzano, C, Terrasse, R, Vernet, T, Di-Guilmi, A.M, Dessen, A. | Deposit date: | 2009-10-22 | Release date: | 2010-01-19 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis of Host Cell Recognition by the Pilus Adhesin from Streptococcus Pneumoniae Structure, 18, 2010
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2UUO
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![BU of 2uuo by Molmil](/molmil-images/mine/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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2VTE
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![BU of 2vte by Molmil](/molmil-images/mine/2vte) | Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor | Descriptor: | N-({7-[(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: | 2008-05-14 | Release date: | 2008-11-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 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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2VTD
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![BU of 2vtd by Molmil](/molmil-images/mine/2vtd) | Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor | Descriptor: | N-({6-[(4-CYANO-2-FLUOROBENZYL)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: | 2008-05-14 | Release date: | 2008-11-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.94 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
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![BU of 2uup by Molmil](/molmil-images/mine/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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2VQ2
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![BU of 2vq2 by Molmil](/molmil-images/mine/2vq2) | Crystal structure of PilW, widely conserved type IV pilus biogenesis factor | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Trinidade, M.B, Job, V, Contreras-Martel, C, Pelicic, V, Dessen, A. | Deposit date: | 2008-03-10 | Release date: | 2008-05-27 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structure of a widely conserved type IV pilus biogenesis factor that affects the stability of secretin multimers. J. Mol. Biol., 378, 2008
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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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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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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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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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2Y67
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![BU of 2y67 by Molmil](/molmil-images/mine/2y67) | 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
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2WJP
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![BU of 2wjp by Molmil](/molmil-images/mine/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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2X5O
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![BU of 2x5o by Molmil](/molmil-images/mine/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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