4F4Q
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![BU of 4f4q by Molmil](/molmil-images/mine/4f4q) | Crystal structure of M. smegmatis DprE1 in complex with FAD and covalently bound 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, DprE1, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Neres, J, Pojer, F, Molteni, E, Chiarelli, L, Riccardi, G, Mattevi, A, Cole, S.T, Binda, C. | Deposit date: | 2012-05-11 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.619 Å) | Cite: | Structural Basis for Benzothiazinone-Mediated Killing of Mycobacterium tuberculosis. Sci Transl Med, 4, 2012
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2FWV
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![BU of 2fwv by Molmil](/molmil-images/mine/2fwv) | Crystal Structure of Rv0813 | Descriptor: | 1,4-DIETHYLENE DIOXIDE, GLYCEROL, hypothetical protein MtubF_01000852 | Authors: | Shepard, W, Haouz, A, Grana, M, Buschiazzo, A, Betton, J.M, Cole, S.T, Alzari, P.M, Structural Proteomics in Europe (SPINE) | Deposit date: | 2006-02-03 | Release date: | 2006-08-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Crystal Structure of Rv0813c from Mycobacterium tuberculosis Reveals a New Family of Fatty Acid-Binding Protein-Like Proteins in Bacteria J.Bacteriol., 189, 2007
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6XZC
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![BU of 6xzc by Molmil](/molmil-images/mine/6xzc) | CryoEM structure of the ring-shaped virulence factor EspB from Mycobacterium tuberculosis | Descriptor: | ESX-1 secretion-associated protein EspB | Authors: | Piton, J, Pojer, F, Wakatsuki, S, Gati, C, Cole, S.T. | Deposit date: | 2020-02-03 | Release date: | 2020-06-17 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | High resolution CryoEM structure of the ring-shaped virulence factor EspB fromMycobacterium tuberculosis. J Struct Biol X, 4, 2020
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3QF3
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![BU of 3qf3 by Molmil](/molmil-images/mine/3qf3) | |
3QYX
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![BU of 3qyx by Molmil](/molmil-images/mine/3qyx) | |
3QWG
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![BU of 3qwg by Molmil](/molmil-images/mine/3qwg) | |
3RIM
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![BU of 3rim by Molmil](/molmil-images/mine/3rim) | Crystal structure of mycobacterium tuberculosis Transketolase (Rv1449c) | Descriptor: | GLYCEROL, MAGNESIUM ION, THIAMINE DIPHOSPHATE, ... | Authors: | Pojer, F, Fullam, E, Jones, T.A, Cole, S.T. | Deposit date: | 2011-04-14 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structure and function of the transketolase from Mycobacterium tuberculosis and comparison with the human enzyme. Open Biol, 2, 2012
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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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4ISY
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![BU of 4isy by Molmil](/molmil-images/mine/4isy) | |
6G83
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![BU of 6g83 by Molmil](/molmil-images/mine/6g83) | Crystal structure of M. tuberculosis DprE1 in complex with sPBTZ169 (sulfonylPBTZ) | Descriptor: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, [2-(4-cyclohexylsulfonylpiperazin-1-yl)-4-oxidanylidene-6-(trifluoromethyl)-1,3-benzothiazin-8-yl]-oxidanylidene-azanium | Authors: | Piton, J, Makarov, V, Cole, S.T. | Deposit date: | 2018-04-07 | Release date: | 2018-08-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Based Drug Design and Characterization of Sulfonyl-Piperazine Benzothiazinone Inhibitors of DprE1 from Mycobacterium tuberculosis. Antimicrob. Agents Chemother., 62, 2018
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4CVY
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![BU of 4cvy by Molmil](/molmil-images/mine/4cvy) | Crystal structure of the M. tuberculosis sulfate ester dioxygenase Rv3406 in complex with iron. | Descriptor: | DIOXYGENASE RV3406/MT3514, FE (III) ION, NITRATE ION | Authors: | Neres, J, Hartkoorn, R.C, Chiarelli, L.R, Gadupudi, R, Pasca, M, Mori, G, Farina, D, Salina, S, Makarov, V, Kolly, G.S, Molteni, E, Binda, C, Dhar, N, Ferrari, S, Brodin, P, Delorme, V, Landry, V, de Jesus Lopes Ribeiro, A.L, Saxena, P, Pojer, F, Venturelli, A, Carta, A, Luciani, R, Porta, A, Zanoni, G, De Rossi, E, Costi, M.P, Riccardi, G, Cole, S.T. | Deposit date: | 2014-03-31 | Release date: | 2014-12-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2-Carboxyquinoxalines Kill Mycobacterium Tuberculosis Through Noncovalent Inhibition of Dpre1. Acs Chem.Biol., 10, 2015
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4BGE
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4DQU
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![BU of 4dqu by Molmil](/molmil-images/mine/4dqu) | Mycobacterium tuberculosis InhA-D148G mutant in complex with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | Authors: | Pojer, F, Hartkoorn, R.C, Boy, S, Cole, S.T. | Deposit date: | 2012-02-16 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Towards a new tuberculosis drug: pyridomycin - nature's isoniazid. EMBO Mol Med, 4, 2012
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4DTI
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![BU of 4dti by Molmil](/molmil-images/mine/4dti) | Mycobacterium tuberculosis InhA-S94A mutant in complex with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | Authors: | Pojer, F, Hartkoorn, R.C, Boy, S, Cole, S.T. | Deposit date: | 2012-02-21 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Towards a new tuberculosis drug: pyridomycin - nature's isoniazid. EMBO Mol Med, 4, 2012
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4BGI
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![BU of 4bgi by Molmil](/molmil-images/mine/4bgi) | Crystal structure of InhA(S94A) mutant in complex with OH-141 | Descriptor: | 3-hydroxy-N-[(2R,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-2-(propan-2-yl)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]pyridine-2-carboxamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Pojer, F, Hartkoorn, R.C, Cole, S.T. | Deposit date: | 2013-03-27 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Pyridomycin bridges the NADH- and substrate-binding pockets of the enoyl reductase InhA. Nat. Chem. Biol., 10, 2014
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4AUT
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![BU of 4aut by Molmil](/molmil-images/mine/4aut) | Crystal structure of the tuberculosis drug target Decaprenyl- Phosphoryl-beta-D-Ribofuranose-2-oxidoreductase (DprE1) from Mycobacterium smegmatis | Descriptor: | DECAPRENYL-PHOSPHORYL-BETA-D-RIBOFURANOSE-2-OXIDOREDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Neres, J, Pojer, F, Molteni, E, Chiarelli, L.R, Dhar, N, Boy-Rottger, S, Buroni, S, Fullam, E, Degiacomi, G, Lucarelli, A, Read, R.J, Zanoni, G, Edmondson, D.E, De Rossi, E, Pasca, M, Riccardi, G, Mattevi, A, Dyson, P.J, Cole, S.T, Binda, C. | Deposit date: | 2012-05-21 | Release date: | 2012-09-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for Benzothiazinone-Mediated Killing of Mycobacterium Tuberculosis. Sci. Transl. Med., 4, 2012
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4DRE
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![BU of 4dre by Molmil](/molmil-images/mine/4dre) | Mycobacterium tuberculosis InhA in complex with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | Authors: | Pojer, F, Hartkoorn, R.C, Boy, S, Cole, S.T. | Deposit date: | 2012-02-17 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Towards a new tuberculosis drug: pyridomycin - nature's isoniazid. EMBO Mol Med, 4, 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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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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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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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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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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4P8K
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![BU of 4p8k by Molmil](/molmil-images/mine/4p8k) | |
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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