4P8N
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![BU of 4p8n by Molmil](/molmil-images/mine/4p8n) | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN118 | Descriptor: | 3-[(3-fluoro-4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | Authors: | Neres, J, Pojer, F, Cole, S.T. | Deposit date: | 2014-03-31 | Release date: | 2014-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1. Acs Chem.Biol., 10, 2015
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4NCR
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![BU of 4ncr by Molmil](/molmil-images/mine/4ncr) | Crystal structure of M. tuberculosis DprE1 in complex with PBTZ169 | Descriptor: | 2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one, bound form, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Neres, J, Pojer, F, Cole, S.T. | Deposit date: | 2013-10-25 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.881 Å) | Cite: | Towards a new combination therapy for tuberculosis with next generation benzothiazinones. EMBO Mol Med, 6, 2014
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4P8C
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![BU of 4p8c by Molmil](/molmil-images/mine/4p8c) | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN127 | Descriptor: | (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 6-(trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Neres, J, Pojer, F, Cole, S.T. | Deposit date: | 2014-03-31 | Release date: | 2014-12-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1. Acs Chem.Biol., 10, 2015
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4P8Y
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![BU of 4p8y by Molmil](/molmil-images/mine/4p8y) | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor Ty21c | Descriptor: | 3-[(4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | Authors: | Neres, J, Pojer, F, Cole, S.T. | Deposit date: | 2014-04-01 | Release date: | 2014-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1. Acs Chem.Biol., 10, 2015
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4P8L
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![BU of 4p8l by Molmil](/molmil-images/mine/4p8l) | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor Ty36c | Descriptor: | 3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | Authors: | Neres, J, Pojer, F, Cole, S.T. | Deposit date: | 2014-03-31 | Release date: | 2014-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1. Acs Chem.Biol., 10, 2015
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4FEH
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![BU of 4feh by Molmil](/molmil-images/mine/4feh) | |
4P8M
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![BU of 4p8m by Molmil](/molmil-images/mine/4p8m) | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN114 | Descriptor: | (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 3-[(4-ethoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Neres, J, Pojer, F, Cole, S.T. | Deposit date: | 2014-03-31 | Release date: | 2014-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1. Acs Chem.Biol., 10, 2015
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4P8P
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![BU of 4p8p by Molmil](/molmil-images/mine/4p8p) | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN127 | Descriptor: | (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 3-[(4-chlorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Neres, J, Pojer, F, Cole, S.T. | Deposit date: | 2014-03-31 | Release date: | 2014-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1. Acs Chem.Biol., 10, 2015
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4FDP
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![BU of 4fdp by Molmil](/molmil-images/mine/4fdp) | |
4FDN
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![BU of 4fdn by Molmil](/molmil-images/mine/4fdn) | |
4FDO
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![BU of 4fdo by Molmil](/molmil-images/mine/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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4P8K
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![BU of 4p8k by Molmil](/molmil-images/mine/4p8k) | |
4P8T
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![BU of 4p8t by Molmil](/molmil-images/mine/4p8t) | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN129 | Descriptor: | (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 3-[(4-cyanobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Neres, J, Pojer, F, Cole, S.T. | Deposit date: | 2014-04-01 | Release date: | 2014-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1. Acs Chem.Biol., 10, 2015
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4FF6
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![BU of 4ff6 by Molmil](/molmil-images/mine/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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4P8H
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![BU of 4p8h by Molmil](/molmil-images/mine/4p8h) | Crystal structure of M. tuberculosis DprE1 in complex with the nitro-benzothiazole 6a | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Probable decaprenylphosphoryl-beta-D-ribose oxidase, {(4S)-2-[7-(hydroxyamino)-6-methyl-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl}(pyrrolidin-1-yl)methanone | Authors: | Neres, J, Cole, S.T. | Deposit date: | 2014-03-31 | Release date: | 2015-10-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Non-mutagenic Nitrobenzothiazoles as Novel Anti-tubercular Agents: A Balance between Potency and Electron Affinity To Be Published
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