1ZT4
 
 | | The crystal structure of human CD1d with and without alpha-Galactosylceramide | | Descriptor: | Beta-2-microglobulin, N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE, T-cell surface glycoprotein CD1d | | Authors: | Koch, M, Stronge, V.S, Shepherd, D, Gadola, S.D, Mathew, B, Ritter, G, Fersht, A.R, Besra, G.S, Schmidt, R.R, Jones, E.Y, Cerundolo, V, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2005-05-26 | | Release date: | 2005-07-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The crystal structure of human CD1d with and without alpha-galactosylceramide
Nat.Immunol., 6, 2005
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4KW5
 | | M. tuberculosis DprE1 in complex with inhibitor TCA1 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, IMIDAZOLE, ... | | Authors: | Batt, S.M, Besra, G.S, Futterer, K. | | Deposit date: | 2013-05-23 | | Release date: | 2013-07-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.612 Å) | | Cite: | Identification of a small molecule with activity against drug-resistant and persistent tuberculosis.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4LXF
 | | Crystal structure of M. tuberculosis TreS | | Descriptor: | CALCIUM ION, GLYCEROL, SULFATE ION, ... | | Authors: | Roy, R, Besra, G.S, Futterer, K. | | Deposit date: | 2013-07-29 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Synthesis of alpha-glucan in mycobacteria involves a hetero-octameric complex of trehalose synthase TreS and Maltokinase Pep2.
Acs Chem.Biol., 8, 2013
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4RMF
 | | Biochemical and structural characterization of mycobacterial aspartyl-tRNA synthetase AspS, a promising TB drug target | | Descriptor: | 2,2-bis(hydroxymethyl)propane-1,3-diol, Aspartate--tRNA(Asp/Asn) ligase, FORMIC ACID | | Authors: | Cox, J.A.G, Gurcha, S.S, Veeraraghavan, U, Besra, G.S, Futterer, K. | | Deposit date: | 2014-10-21 | | Release date: | 2014-11-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Biochemical and Structural Characterization of Mycobacterial Aspartyl-tRNA Synthetase AspS, a Promising TB Drug Target.
Plos One, 9, 2014
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5JY7
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5DU8
 | | Crystal structure of M. tuberculosis EchA6 bound to GSK572A | | Descriptor: | (5R,7S)-5-(4-ethylphenyl)-N-[(5-fluoropyridin-2-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 | | Authors: | Cox, J.A.G, Besra, G.S, Futterer, K. | | Deposit date: | 2015-09-18 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
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5K2X
 | | Crystal structure of M. tuberculosis UspC (tetragonal crystal form) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, IODIDE ION, ... | | Authors: | Futterer, K, Fullam, E, Besra, G.S. | | Deposit date: | 2016-05-19 | | Release date: | 2016-06-01 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and functional analysis of the solute-binding protein UspC from Mycobacterium tuberculosis that is specific for amino sugars.
Open Biology, 6, 2016
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5DTP
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5DU4
 | | Crystal structure of M. tuberculosis EchA6 bound to ligand GSK366A | | Descriptor: | (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 | | Authors: | Cox, J.A.G, Besra, G.S, Futterer, K. | | Deposit date: | 2015-09-18 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
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4WWK
 | | Crystal structure of human TCR Alpha Chain-TRAV12-3, Beta Chain-TRBV6-5, Antigen-presenting molecule CD1d, and Beta-2-microglobulin | | Descriptor: | (15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ... | | Authors: | Le Nours, J, Praveena, T, Pellicci, D.G, Gherardin, N.A, Lim, R.T, Besra, G, Keshipeddy, A, Richardson, S.K, Howell, A.R, Gras, S, Godfrey, D.I, Rossjohn, J, Uldrich, A.P. | | Deposit date: | 2014-11-11 | | Release date: | 2016-02-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Atypical natural killer T-cell receptor recognition of CD1d-lipid antigens.
Nat Commun, 7, 2016
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5DU6
 | | Crystal structure of M. tuberculosis EchA6 bound to ligand GSK059A. | | Descriptor: | (5R,7R)-5-(4-ethylphenyl)-N-(4-fluorobenzyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 | | Authors: | Cox, J.A.G, Besra, G.S, Futterer, K. | | Deposit date: | 2015-09-18 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
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4WW2
 | | Crystal structure of human TCR Alpha Chain-TRAV21-TRAJ8, Beta Chain-TRBV7-8, Antigen-presenting glycoprotein CD1d, and Beta-2-microglobulin | | Descriptor: | (15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ... | | Authors: | Le Nours, J, Praveena, T, Pellicci, D, Gherardin, N.A, Lim, R.T, Besra, G, Keshipeddy, S, Richardson, S.K, Howell, A.R, Gras, S, Godfrey, D.I, Rossjohn, J, Uldrich, A.P. | | Deposit date: | 2014-11-10 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Atypical natural killer T-cell receptor recognition of CD1d-lipid antigens.
Nat Commun, 7, 2016
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3FVE
 | | Crystal structure of diaminopimelate epimerase Mycobacterium tuberculosis DapF | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Diaminopimelate epimerase, GLYCEROL | | Authors: | Usha, V, Dover, L.G, Roper, D.I, Futterer, K, Besra, G.S. | | Deposit date: | 2009-01-15 | | Release date: | 2009-01-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of the diaminopimelate epimerase DapF from Mycobacterium tuberculosis
Acta Crystallogr.,Sect.D, 65, 2009
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4WW1
 | | Crystal structure of human TCR Alpha Chain-TRAV21-TRAJ8 and Beta Chain-TRBV7-8 | | Descriptor: | TCR Alpha Chain-TRAV21-TRAJ8, TCR Beta Chain-TRBV7-8 | | Authors: | Le Nours, J, Praveena, T, Pellicci, D.G, Lim, R.T, Besra, G, Howell, A.R, Godfrey, D.I, Rossjohn, J, Uldrich, A.P. | | Deposit date: | 2014-11-10 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Atypical natural killer T-cell receptor recognition of CD1d-lipid antigens.
Nat Commun, 7, 2016
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5DTW
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5DUC
 | | Crystal structure of M. tuberculosis EchA6 bound to ligand GSK951A | | Descriptor: | (5R,7S)-N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 | | Authors: | Cox, J.A.G, Besra, G.S, Futterer, K. | | Deposit date: | 2015-09-18 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.704 Å) | | Cite: | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
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5DUF
 | | Crystal structure of M. tuberculosis EchA6 bound to ligand GSK729A | | Descriptor: | (5R,7S)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid, Probable enoyl-CoA hydratase echA6 | | Authors: | Cox, J.A.G, Besra, G.S, Futterer, K. | | Deposit date: | 2015-09-18 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
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5K2Y
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6HF3
 | | M tuberculosis DprE1 in complex with a covalently bound nitrobenzothiazinone | | Descriptor: | 2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one, bound form, Decaprenylphosphoryl-beta-D-ribose oxidase, ... | | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | | Deposit date: | 2018-08-21 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Novel insight into the reaction of nitro, nitroso and hydroxylamino benzothiazinones and of benzoxacinones with Mycobacterium tuberculosis DprE1.
Sci Rep, 8, 2018
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6HEZ
 | | M tuberculosis DprE1 in complex with BTZ043 | | Descriptor: | 8-(hydroxyamino)-2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one, Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | | Deposit date: | 2018-08-21 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Novel insight into the reaction of nitro, nitroso and hydroxylamino benzothiazinones and of benzoxacinones with Mycobacterium tuberculosis DprE1.
Sci Rep, 8, 2018
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6HF0
 | | M. tuberculosis DprE1 covalently bound to a nitrobenzoxacinone. | | Descriptor: | 2-[(2~{S},6~{R})-2,6-dimethylpiperidin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzoxazin-4-one, Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | | Deposit date: | 2018-08-21 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.384 Å) | | Cite: | Novel insight into the reaction of nitro, nitroso and hydroxylamino benzothiazinones and of benzoxacinones with Mycobacterium tuberculosis DprE1.
Sci Rep, 8, 2018
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4WNQ
 | | THE MOLECULAR BASES OF DELTA/ALPHA-BETA T-CELL MEDIATED ANTIGEN RECOGNITION | | Descriptor: | TCR Variable Beta 2 (TRBV20) chain and TCR constant Beta chain, TCR Variable Delta 1 chain and TCR constant Alpha chain | | Authors: | Pellicci, D.G, Uldrich, A.P, Le Nours, J, Ross, F, Chabrol, E, Eckle, S.B.G, de Boer, R, Lim, R.T, McPherson, K, Besra, G, Howell, A.R, Moretta, L, McCluskey, J, Heemskerk, M.H.M, Gras, S, Rossjohn, J, Godfrey, D.I. | | Deposit date: | 2014-10-14 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The molecular bases of delta / alpha beta T cell-mediated antigen recognition.
J.Exp.Med., 211, 2014
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2Q74
 | | Mycobacterium tuberculosis SuhB | | Descriptor: | Inositol-1-monophosphatase | | Authors: | Brown, A.K, Meng, G, Ghadbane, H, Besra, G.S, Futterer, K. | | Deposit date: | 2007-06-06 | | Release date: | 2007-10-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Dimerization of inositol monophosphatase Mycobacterium tuberculosis SuhB is not constitutive, but induced by binding of the activator Mg2+
Bmc Struct.Biol., 7, 2007
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4WO4
 | | The molecular bases of Delta/Alpha beta T cell-mediated antigen recognition. | | Descriptor: | (15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pellicci, D.G, Uldrich, A.P, Le Nours, J, Ross, F, Chabrol, E, Eckle, S.B.G, de Boer, R, Lim, R.T, McPherson, K, Besra, G, Howell, A.R, Moretta, L, McCluskey, J, Heemskerk, M.H.M, Gras, S, Rossjohn, J, Godfrey, D.I. | | Deposit date: | 2014-10-15 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The molecular bases of delta / alpha beta T cell-mediated antigen recognition.
J.Exp.Med., 211, 2014
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5OCW
 | | Structure of Mycobacterium tuberculosis tryptophan synthase in space group F222 | | Descriptor: | 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, Tryptophan synthase alpha chain, Tryptophan synthase beta chain | | Authors: | Futterer, K, Abrahams, K, Cox, J.A.G, Besra, G.S. | | Deposit date: | 2017-07-03 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Inhibiting mycobacterial tryptophan synthase by targeting the inter-subunit interface.
Sci Rep, 7, 2017
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