1ZT4
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![BU of 1zt4 by Molmil](/molmil-images/mine/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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2Q74
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![BU of 2q74 by Molmil](/molmil-images/mine/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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4LXF
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![BU of 4lxf by Molmil](/molmil-images/mine/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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4KW5
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![BU of 4kw5 by Molmil](/molmil-images/mine/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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4RMF
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![BU of 4rmf by Molmil](/molmil-images/mine/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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3FVE
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![BU of 3fve by Molmil](/molmil-images/mine/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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5K2X
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![BU of 5k2x by Molmil](/molmil-images/mine/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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5K2Y
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![BU of 5k2y by Molmil](/molmil-images/mine/5k2y) | |
5JY7
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![BU of 5jy7 by Molmil](/molmil-images/mine/5jy7) | |
5DU8
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![BU of 5du8 by Molmil](/molmil-images/mine/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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5DTP
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![BU of 5dtp by Molmil](/molmil-images/mine/5dtp) | |
5DU4
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![BU of 5du4 by Molmil](/molmil-images/mine/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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6HF3
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![BU of 6hf3 by Molmil](/molmil-images/mine/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
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![BU of 6hez by Molmil](/molmil-images/mine/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
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![BU of 6hf0 by Molmil](/molmil-images/mine/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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5DU6
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![BU of 5du6 by Molmil](/molmil-images/mine/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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5DTW
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![BU of 5dtw by Molmil](/molmil-images/mine/5dtw) | |
5DUF
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![BU of 5duf by Molmil](/molmil-images/mine/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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5DUC
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![BU of 5duc by Molmil](/molmil-images/mine/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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5OCW
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![BU of 5ocw by Molmil](/molmil-images/mine/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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5OEP
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![BU of 5oep by Molmil](/molmil-images/mine/5oep) | Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA481 | Descriptor: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | Deposit date: | 2017-07-09 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes. Angew. Chem. Int. Ed. Engl., 56, 2017
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5OEL
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![BU of 5oel by Molmil](/molmil-images/mine/5oel) | Mycobacterium tuberculosis DprE1 mutant Y314C in complex with TCA1 | Descriptor: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | Deposit date: | 2017-07-08 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes. Angew. Chem. Int. Ed. Engl., 56, 2017
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5OEQ
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![BU of 5oeq by Molmil](/molmil-images/mine/5oeq) | Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA020 | Descriptor: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | Deposit date: | 2017-07-09 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes. Angew. Chem. Int. Ed. Engl., 56, 2017
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2QJ3
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![BU of 2qj3 by Molmil](/molmil-images/mine/2qj3) | Mycobacterium tuberculosis FabD | Descriptor: | Malonyl CoA-acyl carrier protein transacylase, NICKEL (II) ION | Authors: | Ghadbane, H, Brown, A.K, Kremer, L, Besra, G.S, Futterer, K. | Deposit date: | 2007-07-06 | Release date: | 2007-09-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of Mycobacterium tuberculosis mtFabD, a malonyl-CoA:acyl carrier protein transacylase (MCAT). Acta Crystallogr.,Sect.F, 63, 2007
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6HRD
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![BU of 6hrd by Molmil](/molmil-images/mine/6hrd) | |