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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3OKP
 | | Crystal structure of Corynebacterium glutamicum PimB' bound to GDP-Man (orthorhombic crystal form) | | Descriptor: | GDP-mannose-dependent alpha-(1-6)-phosphatidylinositol monomannoside mannosyltransferase, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE | | Authors: | Batt, S.M, Jabeen, T, Besra, G.S, Futterer, K. | | Deposit date: | 2010-08-25 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Acceptor substrate discrimination in phosphatidyl-myo-inositol mannoside synthesis: structural and mutational analysis of mannosyltransferase Corynebacterium glutamicum PimB'.
J.Biol.Chem., 285, 2010
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3OKA
 | | Crystal structure of Corynebacterium glutamicum PimB' in complex with GDP-Man (triclinic crystal form) | | Descriptor: | GDP-mannose-dependent alpha-(1-6)-phosphatidylinositol monomannoside mannosyltransferase, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, ... | | Authors: | Batt, S.M, Jabeen, T, Besra, G.S, Futterer, K. | | Deposit date: | 2010-08-24 | | Release date: | 2010-09-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Acceptor substrate discrimination in phosphatidyl-myo-inositol mannoside synthesis: structural and mutational analysis of mannosyltransferase Corynebacterium glutamicum PimB'.
J.Biol.Chem., 285, 2010
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3OKC
 | | Crystal structure of Corynebacterium glutamicum PimB' bound to GDP (orthorhombic crystal form) | | Descriptor: | GDP-mannose-dependent alpha-(1-6)-phosphatidylinositol monomannoside mannosyltransferase, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Batt, S.M, Jabeen, T, Besra, G.S, Futterer, K. | | Deposit date: | 2010-08-24 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Acceptor substrate discrimination in phosphatidyl-myo-inositol mannoside synthesis: structural and mutational analysis of mannosyltransferase Corynebacterium glutamicum PimB'.
J.Biol.Chem., 285, 2010
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4FF6
 | | Mycobacterium tuberculosis DprE1 in complex with CT325 - monoclinic crystal form | | Descriptor: | 3-(hydroxyamino)-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | | Authors: | Batt, S.M, Besra, G.S, Futterer, K. | | Deposit date: | 2012-05-31 | | Release date: | 2012-07-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis of inhibition of Mycobacterium tuberculosis DprE1 by benzothiazinone inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4FDN
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4FDP
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4FDO
 | | Mycobacterium tuberculosis DprE1 in complex with CT319 | | Descriptor: | 3-nitro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide, FLAVIN-ADENINE DINUCLEOTIDE, oxidoreductase DprE1 | | Authors: | Batt, S.M, Besra, G.S, Futterer, K. | | Deposit date: | 2012-05-29 | | Release date: | 2012-07-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.403 Å) | | Cite: | Structural basis of inhibition of Mycobacterium tuberculosis DprE1 by benzothiazinone inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4FEH
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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
 | | 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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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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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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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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