4RMF
 
 | | Biochemical and structural characterization of mycobacterial aspartyl-tRNA synthetase AspS, a promising TB drug target | | 分子名称: | 2,2-bis(hydroxymethyl)propane-1,3-diol, Aspartate--tRNA(Asp/Asn) ligase, FORMIC ACID | | 著者 | Cox, J.A.G, Gurcha, S.S, Veeraraghavan, U, Besra, G.S, Futterer, K. | | 登録日 | 2014-10-21 | | 公開日 | 2014-11-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Biochemical and Structural Characterization of Mycobacterial Aspartyl-tRNA Synthetase AspS, a Promising TB Drug Target.
Plos One, 9, 2014
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3FVE
 | | Crystal structure of diaminopimelate epimerase Mycobacterium tuberculosis DapF | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Diaminopimelate epimerase, GLYCEROL | | 著者 | Usha, V, Dover, L.G, Roper, D.I, Futterer, K, Besra, G.S. | | 登録日 | 2009-01-15 | | 公開日 | 2009-01-27 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure of the diaminopimelate epimerase DapF from Mycobacterium tuberculosis
Acta Crystallogr.,Sect.D, 65, 2009
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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 | | 分子名称: | (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, ... | | 著者 | 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. | | 登録日 | 2014-11-11 | | 公開日 | 2016-02-03 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Atypical natural killer T-cell receptor recognition of CD1d-lipid antigens.
Nat Commun, 7, 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 | | 分子名称: | (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, ... | | 著者 | 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. | | 登録日 | 2014-11-10 | | 公開日 | 2016-02-03 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Atypical natural killer T-cell receptor recognition of CD1d-lipid antigens.
Nat Commun, 7, 2016
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4WW1
 | | Crystal structure of human TCR Alpha Chain-TRAV21-TRAJ8 and Beta Chain-TRBV7-8 | | 分子名称: | TCR Alpha Chain-TRAV21-TRAJ8, TCR Beta Chain-TRBV7-8 | | 著者 | Le Nours, J, Praveena, T, Pellicci, D.G, Lim, R.T, Besra, G, Howell, A.R, Godfrey, D.I, Rossjohn, J, Uldrich, A.P. | | 登録日 | 2014-11-10 | | 公開日 | 2016-02-03 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Atypical natural killer T-cell receptor recognition of CD1d-lipid antigens.
Nat Commun, 7, 2016
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2Q74
 | | Mycobacterium tuberculosis SuhB | | 分子名称: | Inositol-1-monophosphatase | | 著者 | Brown, A.K, Meng, G, Ghadbane, H, Besra, G.S, Futterer, K. | | 登録日 | 2007-06-06 | | 公開日 | 2007-10-23 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | 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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4KW5
 | | M. tuberculosis DprE1 in complex with inhibitor TCA1 | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, IMIDAZOLE, ... | | 著者 | Batt, S.M, Besra, G.S, Futterer, K. | | 登録日 | 2013-05-23 | | 公開日 | 2013-07-10 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.612 Å) | | 主引用文献 | Identification of a small molecule with activity against drug-resistant and persistent tuberculosis.
Proc.Natl.Acad.Sci.USA, 110, 2013
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2QJ3
 | | Mycobacterium tuberculosis FabD | | 分子名称: | Malonyl CoA-acyl carrier protein transacylase, NICKEL (II) ION | | 著者 | Ghadbane, H, Brown, A.K, Kremer, L, Besra, G.S, Futterer, K. | | 登録日 | 2007-07-06 | | 公開日 | 2007-09-04 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure of Mycobacterium tuberculosis mtFabD, a malonyl-CoA:acyl carrier protein transacylase (MCAT).
Acta Crystallogr.,Sect.F, 63, 2007
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4WNQ
 | | THE MOLECULAR BASES OF DELTA/ALPHA-BETA T-CELL MEDIATED ANTIGEN RECOGNITION | | 分子名称: | TCR Variable Beta 2 (TRBV20) chain and TCR constant Beta chain, TCR Variable Delta 1 chain and TCR constant Alpha chain | | 著者 | 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. | | 登録日 | 2014-10-14 | | 公開日 | 2014-11-26 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The molecular bases of delta / alpha beta T cell-mediated antigen recognition.
J.Exp.Med., 211, 2014
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4LXF
 | | Crystal structure of M. tuberculosis TreS | | 分子名称: | CALCIUM ION, GLYCEROL, SULFATE ION, ... | | 著者 | Roy, R, Besra, G.S, Futterer, K. | | 登録日 | 2013-07-29 | | 公開日 | 2013-08-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | 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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4WO4
 | | The molecular bases of Delta/Alpha beta T cell-mediated antigen recognition. | | 分子名称: | (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, ... | | 著者 | 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. | | 登録日 | 2014-10-15 | | 公開日 | 2014-11-26 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The molecular bases of delta / alpha beta T cell-mediated antigen recognition.
J.Exp.Med., 211, 2014
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1ZT4
 | | The crystal structure of human CD1d with and without alpha-Galactosylceramide | | 分子名称: | Beta-2-microglobulin, N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE, T-cell surface glycoprotein CD1d | | 著者 | 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) | | 登録日 | 2005-05-26 | | 公開日 | 2005-07-19 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The crystal structure of human CD1d with and without alpha-galactosylceramide
Nat.Immunol., 6, 2005
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5JY7
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2AJ9
 | | X-ray crystal structure of W42A,R161A double mutant of Mycobacterium tuberculosis beta-ketoacyl-ACP synthase III | | 分子名称: | 3-oxoacyl-[acyl-carrier-protein] synthase III | | 著者 | Brown, A.K, Sridharan, S, Kremer, L, Lindenberg, S, Dover, L.G, Sacchettini, J.C, Besra, G.S. | | 登録日 | 2005-08-01 | | 公開日 | 2005-08-30 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Probing the Mechanism of the Mycobacterium tuberculosis beta-Ketoacyl-Acyl Carrier Protein Synthase III mtFabH: Factors Influencing Catalysis And Substrate Specificity.
J.Biol.Chem., 280, 2005
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2AHB
 | | X-ray crystal structure of R46A,R161A mutant of Mycobacterium tuberculosis FabH | | 分子名称: | Beta- ketoacyl-ACP synthase III | | 著者 | Brown, A.K, Sridharan, S, Kremer, L, Lindenberg, S, Dover, L.G, Sacchettini, J.C, Besra, G.S. | | 登録日 | 2005-07-27 | | 公開日 | 2005-08-23 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Probing the Mechanism of the Mycobacterium tuberculosis {beta}-Ketoacyl-Acyl Carrier Protein Synthase III mtFabH: FACTORS INFLUENCING CATALYSIS AND SUBSTRATE SPECIFICITY
J.Biol.Chem., 280, 2005
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6HF0
 | | M. tuberculosis DprE1 covalently bound to a nitrobenzoxacinone. | | 分子名称: | 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 | | 著者 | Futterer, K, Batt, S.M, Besra, G.S. | | 登録日 | 2018-08-21 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.384 Å) | | 主引用文献 | 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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6HF3
 | | M tuberculosis DprE1 in complex with a covalently bound nitrobenzothiazinone | | 分子名称: | 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, ... | | 著者 | Futterer, K, Batt, S.M, Besra, G.S. | | 登録日 | 2018-08-21 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | 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 | | 分子名称: | 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, ... | | 著者 | Futterer, K, Batt, S.M, Besra, G.S. | | 登録日 | 2018-08-21 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | 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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5K2X
 | | Crystal structure of M. tuberculosis UspC (tetragonal crystal form) | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, IODIDE ION, ... | | 著者 | Futterer, K, Fullam, E, Besra, G.S. | | 登録日 | 2016-05-19 | | 公開日 | 2016-06-01 | | 最終更新日 | 2023-03-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | 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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5OCW
 | | Structure of Mycobacterium tuberculosis tryptophan synthase in space group F222 | | 分子名称: | 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, Tryptophan synthase alpha chain, Tryptophan synthase beta chain | | 著者 | Futterer, K, Abrahams, K, Cox, J.A.G, Besra, G.S. | | 登録日 | 2017-07-03 | | 公開日 | 2017-07-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (4 Å) | | 主引用文献 | Inhibiting mycobacterial tryptophan synthase by targeting the inter-subunit interface.
Sci Rep, 7, 2017
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5OEP
 | | Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA481 | | 分子名称: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | | 著者 | Futterer, K, Batt, S.M, Besra, G.S. | | 登録日 | 2017-07-09 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
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6HRD
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5OEL
 | | Mycobacterium tuberculosis DprE1 mutant Y314C in complex with TCA1 | | 分子名称: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate | | 著者 | Futterer, K, Batt, S.M, Besra, G.S. | | 登録日 | 2017-07-08 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5OEQ
 | | Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA020 | | 分子名称: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | | 著者 | Futterer, K, Batt, S.M, Besra, G.S. | | 登録日 | 2017-07-09 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5K2Y
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