2ONT
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![BU of 2ont by Molmil](/molmil-images/mine/2ont) | A swapped dimer of the HIV-1 capsid C-terminal domain | Descriptor: | Capsid protein p24 | Authors: | Ivanov, D, Tsodikov, O.V, Kasanov, J, Ellenberger, T, Wagner, G, Collins, T. | Deposit date: | 2007-01-24 | Release date: | 2007-02-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Domain-swapped dimerization of the HIV-1 capsid C-terminal domain Proc.Natl.Acad.Sci.Usa, 104, 2007
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7V0B
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![BU of 7v0b by Molmil](/molmil-images/mine/7v0b) | |
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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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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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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6X7A
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![BU of 6x7a by Molmil](/molmil-images/mine/6x7a) | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT572 | Descriptor: | 4-(4-cyclohexyl-3,4-dihydro-2~{H}-pyridin-1-yl)-1-(4-$l^{2}-fluoranylcyclohexa-1,3,5-trien-1-yl)butan-1-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 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 (2.08 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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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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3ITW
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![BU of 3itw by Molmil](/molmil-images/mine/3itw) | |
5TVJ
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![BU of 5tvj by Molmil](/molmil-images/mine/5tvj) | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with CoA and inhibitor 2k*: 1-(4-fluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium | Descriptor: | 1-(4-fluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium, CHLORIDE ION, COENZYME A, ... | Authors: | Gajadeera, C.S, Garzan, A, Hou, C, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2016-11-09 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Combating Enhanced Intracellular Survival (Eis)-Mediated Kanamycin Resistance of Mycobacterium tuberculosis by Novel Pyrrolo[1,5-a]pyrazine-Based Eis Inhibitors. ACS Infect Dis, 3, 2017
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4Z2Y
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![BU of 4z2y by Molmil](/molmil-images/mine/4z2y) | Crystal structure of methyltransferase CalO6 | Descriptor: | CalO6, MERCURY (II) ION | Authors: | Hou, C, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2015-03-30 | Release date: | 2015-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Crystal structure of O-methyltransferase CalO6 from the calicheamicin biosynthetic pathway: a case of challenging structure determination at low resolution. Bmc Struct.Biol., 15, 2015
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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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5KDE
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![BU of 5kde by Molmil](/molmil-images/mine/5kde) | Inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with inhibitor 1 and inorganic pyrophosphate | Descriptor: | 2,4-bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine, Inorganic pyrophosphatase, PYROPHOSPHATE 2- | Authors: | Pang, A.H, Garzan, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2016-06-08 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis. ACS Chem. Biol., 11, 2016
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7JSL
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![BU of 7jsl by Molmil](/molmil-images/mine/7jsl) | |
5KDF
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![BU of 5kdf by Molmil](/molmil-images/mine/5kdf) | Inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with inhibitor 6 and inorganic pyrophosphate | Descriptor: | CALCIUM ION, Inorganic pyrophosphatase, PYROPHOSPHATE 2-, ... | Authors: | Pang, A.H, Garzan, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2016-06-08 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis. ACS Chem. Biol., 11, 2016
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7JSA
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![BU of 7jsa by Molmil](/molmil-images/mine/7jsa) | |
5IV0
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![BU of 5iv0 by Molmil](/molmil-images/mine/5iv0) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with sulfonamide inhibitor 39 and coenzyme A | Descriptor: | CHLORIDE ION, COENZYME A, Enhanced intracellular survival protein, ... | Authors: | Gajadeera, C.S, Hou, C, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2016-03-18 | Release date: | 2017-01-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Sulfonamide-Based Inhibitors of Aminoglycoside Acetyltransferase Eis Abolish Resistance to Kanamycin in Mycobacterium tuberculosis. J. Med. Chem., 59, 2016
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6P3T
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![BU of 6p3t by Molmil](/molmil-images/mine/6p3t) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT449 | Descriptor: | AMMONIUM ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2019-05-24 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis. Acs Infect Dis., 5, 2019
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6P3V
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![BU of 6p3v by Molmil](/molmil-images/mine/6p3v) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT416 | Descriptor: | DIMETHYL SULFOXIDE, N,N-diethyl-2-[(8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-amine, N-acetyltransferase Eis, ... | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2019-05-24 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis. Acs Infect Dis., 5, 2019
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6P3U
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![BU of 6p3u by Molmil](/molmil-images/mine/6p3u) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT335 | Descriptor: | 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2019-05-24 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis. Acs Infect Dis., 5, 2019
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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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6BZZ
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![BU of 6bzz by Molmil](/molmil-images/mine/6bzz) | |