3R1K
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![BU of 3r1k by Molmil](/molmil-images/mine/3r1k) | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis H37Rv in complex with CoA and an acetamide moiety | Descriptor: | ACETAMIDE, COENZYME A, Enhanced intracellular survival protein | Authors: | Biswas, T, Chen, W, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2011-03-10 | Release date: | 2011-06-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Unusual regioversatility of acetyltransferase Eis, a cause of drug resistance in XDR-TB. Proc.Natl.Acad.Sci.USA, 108, 2011
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4JD6
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![BU of 4jd6 by Molmil](/molmil-images/mine/4jd6) | Crystal structure of Mycobacterium tuberculosis Eis in complex with coenzyme A and tobramycin | Descriptor: | COENZYME A, Enhanced intracellular survival protein, TOBRAMYCIN | Authors: | Biswas, T, Chen, W, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2013-02-23 | Release date: | 2013-10-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Chemical and structural insights into the regioversatility of the aminoglycoside acetyltransferase eis. Chembiochem, 14, 2013
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7V0B
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7V0D
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![BU of 7v0d by Molmil](/molmil-images/mine/7v0d) | Crystal structure of halogenase CtcP from Kitasatospora aureofaciens | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Hou, C, Tsodikov, O.V. | Deposit date: | 2022-05-10 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures and complex formation of halogenase CtcP and FAD reductase CtcQ from the chlortetracycline biosynthetic pathway To Be Published
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5WMM
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![BU of 5wmm by Molmil](/molmil-images/mine/5wmm) | Crystal structure of an adenylation domain interrupted by a methylation domain (AMA4) from nonribosomal peptide synthetase TioS | Descriptor: | (2S)-2-amino-3-methylbutanoyl (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl hydrogen (S)-phosphate, CALCIUM ION, CHLORIDE ION, ... | Authors: | Pang, A.H, Mori, S, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2017-07-30 | Release date: | 2018-03-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for backbone N-methylation by an interrupted adenylation domain. Nat. Chem. Biol., 14, 2018
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6B0U
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![BU of 6b0u by Molmil](/molmil-images/mine/6b0u) | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with a Lys-containing peptide | Descriptor: | COENZYME A, N-acetyltransferase Eis, Synthetic peptide ATKAPAKKA | Authors: | Biswas, T, Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2017-09-15 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Acetylation by Eis and Deacetylation by Rv1151c of Mycobacterium tuberculosis HupB: Biochemical and Structural Insight. Biochemistry, 57, 2018
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6BZQ
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![BU of 6bzq by Molmil](/molmil-images/mine/6bzq) | Crystal structure of halogenase PltM in complex with FAD | Descriptor: | BROMIDE ION, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2017-12-25 | Release date: | 2019-03-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Unusual substrate and halide versatility of phenolic halogenase PltM. Nat Commun, 10, 2019
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6BZZ
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6B3T
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![BU of 6b3t by Molmil](/molmil-images/mine/6b3t) | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with a 1,2,4-triazino[5,6b]indole-3-thioether inhibitor analogue 39b | Descriptor: | 8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole, COENZYME A, N-acetyltransferase Eis, ... | Authors: | Gajadeera, C.S, Hou, C, Garneau-Tsodikova, S, Ngo, H.X, Tsodikov, O.V. | Deposit date: | 2017-09-24 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Potent 1,2,4-Triazino[5,6 b]indole-3-thioether Inhibitors of the Kanamycin Resistance Enzyme Eis from Mycobacterium tuberculosis. ACS Infect Dis, 4, 2018
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6BZA
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![BU of 6bza by Molmil](/molmil-images/mine/6bza) | Crystal structure of halogenase PltM in complex with phloroglucinol and FAD | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Halogenase PltM, ... | Authors: | Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2017-12-22 | Release date: | 2019-03-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Unusual substrate and halide versatility of phenolic halogenase PltM. Nat Commun, 10, 2019
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6BZT
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![BU of 6bzt by Molmil](/molmil-images/mine/6bzt) | Crystal structure of halogenase PltM L111Y mutant in complex with FAD | Descriptor: | BROMIDE ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2017-12-26 | Release date: | 2019-03-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Unusual substrate and halide versatility of phenolic halogenase PltM. Nat Commun, 10, 2019
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7JSL
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7JSA
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8G7F
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![BU of 8g7f by Molmil](/molmil-images/mine/8g7f) | Crystal Structure of FosB from Bacillus cereus with Zinc and 1-hydroxypropylphosphonic acid | Descriptor: | FORMIC ACID, GLYCEROL, MAGNESIUM ION, ... | Authors: | Travis, S, Pang, A.H, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K. | Deposit date: | 2023-02-16 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus. Rsc Med Chem, 14, 2023
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8G7G
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![BU of 8g7g by Molmil](/molmil-images/mine/8g7g) | Crystal Structure of FosB from Bacillus cereus with Zinc and (1-hydroxy-2-methylpropyl)phosphonic acid | Descriptor: | FORMIC ACID, MAGNESIUM ION, Metallothiol transferase FosB, ... | Authors: | Travis, S, Pang, A.H, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K. | Deposit date: | 2023-02-16 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus. Rsc Med Chem, 14, 2023
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8G7H
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![BU of 8g7h by Molmil](/molmil-images/mine/8g7h) | Crystal Structure of FosB from Bacillus cereus with Zinc and (1-hydroxypropan-2-yl)phosphonic acid | Descriptor: | FORMIC ACID, GLYCEROL, MAGNESIUM ION, ... | Authors: | Travis, S, Pang, A.H, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K. | Deposit date: | 2023-02-16 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus. Rsc Med Chem, 14, 2023
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8G7I
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![BU of 8g7i by Molmil](/molmil-images/mine/8g7i) | Crystal Structure of FosB from Bacillus cereus with Zinc and Sulfate | Descriptor: | FORMIC ACID, GLYCEROL, MAGNESIUM ION, ... | Authors: | Travis, S, Pang, A.H, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K. | Deposit date: | 2023-02-16 | Release date: | 2023-06-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus. Rsc Med Chem, 14, 2023
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5EBV
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![BU of 5ebv by Molmil](/molmil-images/mine/5ebv) | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor 11c and CoA | Descriptor: | 5-(4-chlorophenyl)-~{N}-[3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)propyl]-4-methyl-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine, CHLORIDE ION, COENZYME A, ... | Authors: | Gajadeera, C.S, Hou, C, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2015-10-19 | Release date: | 2016-03-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Potent Inhibitors of Acetyltransferase Eis Overcome Kanamycin Resistance in Mycobacterium tuberculosis. Acs Chem.Biol., 11, 2016
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5EC4
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![BU of 5ec4 by Molmil](/molmil-images/mine/5ec4) | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor 13g and CoA | Descriptor: | 5-(3-chlorophenyl)-4-methyl-~{N}-(3-morpholin-4-ylpropyl)-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine, COENZYME A, Enhanced intracellular survival protein | Authors: | Gajadeera, C.S, Hou, C, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2015-10-20 | Release date: | 2016-03-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Potent Inhibitors of Acetyltransferase Eis Overcome Kanamycin Resistance in Mycobacterium tuberculosis. Acs Chem.Biol., 11, 2016
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3LT3
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![BU of 3lt3 by Molmil](/molmil-images/mine/3lt3) | Crystal structure of Rv3671c from M. tuberculosis H37Rv, Ser343Ala mutant, inactive form | Descriptor: | POSSIBLE MEMBRANE-ASSOCIATED SERINE PROTEASE | Authors: | Biswas, T, Small, J, Vandal, O, Ehrt, S, Tsodikov, O.V. | Deposit date: | 2010-02-14 | Release date: | 2010-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insight into serine protease Rv3671c that Protects M. tuberculosis from oxidative and acidic stress. Structure, 18, 2010
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3K6Y
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![BU of 3k6y by Molmil](/molmil-images/mine/3k6y) | Crystal structure of Rv3671c protease from M. tuberculosis, active form | Descriptor: | POSSIBLE MEMBRANE-ASSOCIATED SERINE PROTEASE | Authors: | Biswas, T, Small, J, Vandal, O, Ehrt, S, Tsodikov, O.V. | Deposit date: | 2009-10-10 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural insight into serine protease Rv3671c that Protects M. tuberculosis from oxidative and acidic stress. Structure, 18, 2010
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6X10
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![BU of 6x10 by Molmil](/molmil-images/mine/6x10) | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with haloperidol | Descriptor: | 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one, CHLORIDE ION, GLYCEROL, ... | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2020-05-17 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance Rsc Med Chem, 12, 2021
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6X6G
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![BU of 6x6g by Molmil](/molmil-images/mine/6x6g) | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with droperidol | Descriptor: | 3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2,3,4,5-tetrahydropyridin-4-yl]-1~{H}-benzimidazol-2-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2020-05-28 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance Rsc Med Chem, 12, 2021
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6X6I
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![BU of 6x6i by Molmil](/molmil-images/mine/6x6i) | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT543 | Descriptor: | 4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2020-05-28 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance Rsc Med Chem, 12, 2021
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6X6Y
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![BU of 6x6y by Molmil](/molmil-images/mine/6x6y) | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1264 | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2020-05-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance Rsc Med Chem, 12, 2021
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