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PDB: 101 results

4RFV
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BU of 4rfv by Molmil
Structure of the Mycobacterium tuberculosis APS kinase CysC Cys556Ala mutant
Descriptor: Bifunctional enzyme CysN/CysC, PHOSPHATE ION
Authors:Poyraz, O, Brunner, K, Schnell, R, Schneider, G.
Deposit date:2014-09-28
Release date:2015-01-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal Structures of the Kinase Domain of the Sulfate-Activating Complex in Mycobacterium tuberculosis.
Plos One, 10, 2015
5LB1
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Crystal structure of the Mycobacterium tuberculosis L,D-transpeptidase-2 (LdtMt2) BC-module with thionitrobenzoate (TNB) adduct at the active site cysteine-354
Descriptor: 5-MERCAPTO-2-NITRO-BENZOIC ACID, L,D-transpeptidase 2
Authors:Steiner, E.M, Schnell, R, Schneider, G.
Deposit date:2016-06-15
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Binding and processing of beta-lactam antibiotics by the transpeptidase LdtMt2 from Mycobacterium tuberculosis.
FEBS J., 284, 2017
5LBG
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BU of 5lbg by Molmil
Crystal structure of the Mycobacterium tuberculosis L,D-transpeptidase-2 (LdtMt2) BC-module with faropenem-derived adduct at the active site cysteine-354
Descriptor: (3S)-3-HYDROXYBUTANOIC ACID, L,D-transpeptidase 2
Authors:Steiner, E.M, Schnell, R, Schneider, G.
Deposit date:2016-06-16
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Binding and processing of beta-lactam antibiotics by the transpeptidase LdtMt2 from Mycobacterium tuberculosis.
FEBS J., 284, 2017
5OJH
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BU of 5ojh by Molmil
Crystal structure of the extramembrane domain of the cellulose biosynthetic protein BcsG from Salmonella typhimurium
Descriptor: CITRATE ANION, Cellulose biosynthesis protein BcsG, ZINC ION
Authors:Schneider, G, Vella, P, Lindqvist, Y, Schnell, R.
Deposit date:2017-07-21
Release date:2018-08-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural and Functional Characterization of the BcsG Subunit of the Cellulose Synthase in Salmonella typhimurium.
J. Mol. Biol., 430, 2018
5OLT
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BU of 5olt by Molmil
Crystal structure of the extramembrane domain of the cellulose biosynthetic protein BcsG from Salmonella typhimurium
Descriptor: CITRIC ACID, Cellulose biosynthesis protein BcsG, ZINC ION
Authors:Vella, P, Polyakova, A, Lindqvist, Y, Schnell, R, Bourenkov, G, Schneider, T, Schneider, G.
Deposit date:2017-07-28
Release date:2018-08-08
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and Functional Characterization of the BcsG Subunit of the Cellulose Synthase in Salmonella typhimurium.
J. Mol. Biol., 430, 2018
3DKI
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BU of 3dki by Molmil
2.1 A X-ray structure of CysM (Rv1336) from Mycobacterium tuberculosis an O-phosphoserine dependent cysteine synthase
Descriptor: Cysteine synthase B, SODIUM ION
Authors:Agren, D, Schnell, R, Schneider, G.
Deposit date:2008-06-25
Release date:2008-09-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cysteine Synthase (CysM) of Mycobacterium tuberculosis Is an O-Phosphoserine Sulfhydrylase: EVIDENCE FOR AN ALTERNATIVE CYSTEINE BIOSYNTHESIS PATHWAY IN MYCOBACTERIA
J.Biol.Chem., 283, 2008
3EUL
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BU of 3eul by Molmil
Structure of the signal receiver domain of the putative response regulator NarL from Mycobacterium tuberculosis
Descriptor: CHLORIDE ION, POSSIBLE NITRATE/NITRITE RESPONSE TRANSCRIPTIONAL REGULATORY PROTEIN NARL (DNA-binding response regulator, LuxR family)
Authors:Schneider, G, Schnell, R, Agren, D.
Deposit date:2008-10-10
Release date:2008-11-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1.9 A structure of the signal receiver domain of the putative response regulator NarL from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.F, 64, 2008
3FGP
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2.05 a Crystal Structure of CysM from Mycobacterium Tuberculosis - Open and Closed Conformations
Descriptor: Cysteine synthase B
Authors:Agren, D, Schnell, R, Schneider, G.
Deposit date:2008-12-08
Release date:2008-12-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The C-terminal of CysM from Mycobacterium tuberculosis protects the aminoacrylate intermediate and is involved in sulfur donor selectivity
Febs Lett., 583, 2009
2Q3D
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BU of 2q3d by Molmil
2.2 A Resolution Crystal Structure of O-Acetylserine Sulfhydrylase (OASS) From MYCOBACTERIUM TUBERCULOSIS in Complex with the Reaction Intermediate ALPHA-AMINOACRYLATE
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID, Cysteine synthase A
Authors:Schneider, G, Schnell, R.
Deposit date:2007-05-30
Release date:2007-06-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insights into Catalysis and Inhibition of O-Acetylserine Sulfhydrylase from Mycobacterium tuberculosis: CRYSTAL STRUCTURES OF THE ENZYME {alpha}-AMINOACRYLATE INTERMEDIATE AND AN ENZYME-INHIBITOR COMPLEX.
J.Biol.Chem., 282, 2007
2Q3C
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BU of 2q3c by Molmil
2.1 A Resolution Crystal Structure of O-Acetylserine Sulfhydrylase (OASS) Holoenzyme From MYCOBACTERIUM TUBERCULOSIS in Complex with the Inhibitory Peptide DFSI
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cysteine synthase A, DFSI inhibitory peptide
Authors:Schneider, G, Schnell, R.
Deposit date:2007-05-30
Release date:2007-06-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Insights into Catalysis and Inhibition of O-Acetylserine Sulfhydrylase from Mycobacterium tuberculosis: CRYSTAL STRUCTURES OF THE ENZYME {alpha}-AMINOACRYLATE INTERMEDIATE AND AN ENZYME-INHIBITOR COMPLEX.
J.Biol.Chem., 282, 2007
2Q3B
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BU of 2q3b by Molmil
1.8 A Resolution Crystal Structure of O-Acetylserine Sulfhydrylase (OASS) Holoenzyme From MYCOBACTERIUM TUBERCULOSIS
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cysteine synthase A
Authors:Schneider, G, Schnell, R.
Deposit date:2007-05-30
Release date:2007-06-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Insights into Catalysis and Inhibition of O-Acetylserine Sulfhydrylase from Mycobacterium tuberculosis: CRYSTAL STRUCTURES OF THE ENZYME {alpha}-AMINOACRYLATE INTERMEDIATE AND AN ENZYME-INHIBITOR COMPLEX.
J.Biol.Chem., 282, 2007
5EZ7
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BU of 5ez7 by Molmil
Crystal structure of the FAD dependent oxidoreductase PA4991 from Pseudomonas aeruginosa
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, MERCURY (II) ION, flavoenzyme PA4991
Authors:Jacewicz, A, Schnell, R, Lindqvist, Y, Schneider, G.
Deposit date:2015-11-26
Release date:2016-02-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the flavoenzyme PA4991 from Pseudomonas aeruginosa.
Acta Crystallogr.,Sect.F, 72, 2016
5IW8
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BU of 5iw8 by Molmil
Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 4 [5-(3-([1,1'-Biphenyl]-3-yl)ureido)-2-hydroxybenzoic acid]
Descriptor: 5-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Brunner, K, Schnell, R, Schneider, G.
Deposit date:2016-03-22
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
6T65
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BU of 6t65 by Molmil
Crsytal structure of Acinetobacter baumannii FabG inhibitor complex at 2.35 A resolution
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase, ethyl 6-bromanyl-2-[(dimethylamino)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate
Authors:Rudraraju, R, Schnell, R, Schneider, G.
Deposit date:2019-10-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2020
6TBD
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BU of 6tbd by Molmil
Crystal structure of the SVS_A2 protein from ancestral sequence reconstruction at 2.30 A resolution
Descriptor: Design protein SVS_A2
Authors:Rudraraju, R, Schnell, R, Schneider, G.
Deposit date:2019-11-01
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase.
J.Am.Chem.Soc., 143, 2021
6T5X
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BU of 6t5x by Molmil
Crystal structure of Salmonella typhimurium FabG in complex with NADPH at 1.5 A resolution
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase FabG, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Vella, P, Schnell, R, Schneider, G.
Deposit date:2019-10-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
6T62
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BU of 6t62 by Molmil
Crystal structure of Acinetobacter baumannii FabG in complex with NADPH at 1.8 A resolution
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Vella, P, Schnell, R, Schneider, G.
Deposit date:2019-10-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2020
6T6P
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BU of 6t6p by Molmil
Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) at 1.57 A resolution
Descriptor: 3-oxoacyl-[acyl-carrier protein] reductase, GLYCEROL, PHOSPHATE ION
Authors:Vella, P, Schnell, R, Lindqvist, Y, Schneider, G.
Deposit date:2019-10-18
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
6TJA
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BU of 6tja by Molmil
Crystal structure of the SVS_A2 protein (W79F,G83L mutant) from ancestral sequence reconstruction at 2.27 A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, SVS_variant_AS1
Authors:Rudraraju, R, Schnell, R, Schneider, G.
Deposit date:2019-11-25
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase.
J.Am.Chem.Soc., 143, 2021
6T60
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BU of 6t60 by Molmil
Crystal structure of Acinetobacter baumannii FabG at 1.66 A resolution
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase
Authors:Vella, P, Schnell, R, Schneider, G.
Deposit date:2019-10-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2020
6T6N
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BU of 6t6n by Molmil
Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) in complex with NADH at 2.5 A resolution
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-oxoacyl-[acyl-carrier protein] reductase, D-MALATE, ...
Authors:Vella, P, Schnell, R, Lindqvist, Y, Schneider, G.
Deposit date:2019-10-18
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
6TIV
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BU of 6tiv by Molmil
Crystal structure of the SVS_A2 protein (205-DREMH-209 /205-AQDLE-209 mutant) from ancestral sequence reconstruction at 2.38 A resolution
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SVS variant AT2, ...
Authors:Rudraraju, R, Schnell, R, Schneider, G.
Deposit date:2019-11-22
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase.
J.Am.Chem.Soc., 143, 2021
6T77
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BU of 6t77 by Molmil
Crystal structure of Klebsiella pneumoniae FabG(NADPH-dependent) NADP-complex at 1.75 A resolution
Descriptor: 3-oxoacyl-ACP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Vella, P, Schnell, R, Lindqvist, Y, Schneider, G.
Deposit date:2019-10-21
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
6TJZ
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BU of 6tjz by Molmil
Crystal structure of the SVS_A2 protein (W156Y mutant) from ancestral sequence reconstruction at 2.4 A resolution
Descriptor: SVS_variant_AS3
Authors:Rudraraju, R, Schnell, R, Schneider, G.
Deposit date:2019-11-27
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase.
J.Am.Chem.Soc., 143, 2021
6THU
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BU of 6thu by Molmil
Crystal structure of the SVS_A2 protein (A224I mutant) from ancestral sequence reconstruction at 2.6 A resolution
Descriptor: SVS_AS10 variant
Authors:Rudraraju, R, Schnell, R, Schneider, G.
Deposit date:2019-11-21
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase.
J.Am.Chem.Soc., 143, 2021

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