8F57
 
 | | Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with inhibitor SGT1615 | | Descriptor: | (1E)-1-[(4-chlorophenyl)methylidene]-2-(3-fluorophenyl)hydrazine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2022-11-12 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
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8F4T
 | | Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with proguanil | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Punetha, A, Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2022-11-11 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
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8F4W
 | | Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with venlafaxine | | Descriptor: | 1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2022-11-11 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
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8F58
 | | Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with inhibitor SGT1616 | | Descriptor: | (1E)-1-[(4-chlorophenyl)methylidene]-2-(4-fluorophenyl)hydrazine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2022-11-12 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
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8F4Z
 | | Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with chloroquine | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-acetyltransferase Eis, ... | | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2022-11-11 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
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8F4U
 | | Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with azelastine | | Descriptor: | 4-[(4-chlorophenyl)methyl]-2-[(4S)-1-methylazepan-4-yl]phthalazin-1(2H)-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2022-11-11 | | Release date: | 2023-02-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
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8F51
 | | Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with mefloquine | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2022-11-11 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
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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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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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8E7Q
 | | Crystal Structure of FosB from Bacillus cereus with Zinc and 2-Phosphonopropionic acid | | Descriptor: | (2S)-2-phosphonopropanoic acid, FORMIC ACID, MAGNESIUM ION, ... | | Authors: | Travis, S, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K. | | Deposit date: | 2022-08-24 | | Release date: | 2023-06-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus.
Rsc Med Chem, 14, 2023
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8E7R
 | | Crystal Structure of FosB from Bacillus cereus with Zinc and Phosphonoacetate | | Descriptor: | FORMIC ACID, MAGNESIUM ION, Metallothiol transferase FosB, ... | | Authors: | Travis, S, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K. | | Deposit date: | 2022-08-24 | | Release date: | 2023-06-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.975 Å) | | Cite: | Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus.
Rsc Med Chem, 14, 2023
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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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6BZN
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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
 | | 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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6BZI
 | | Crystal structure of halogenase PltM in complex with ethyl mercury and mercury | | Descriptor: | CALCIUM ION, ETHYL MERCURY ION, GLYCEROL, ... | | Authors: | Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2017-12-24 | | Release date: | 2019-03-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 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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4I9G
 | | Crystal structure of glycerol phosphate phosphatase Rv1692 from Mycobacterium tuberculosis in complex with magnesium | | Descriptor: | Glycerol 3-phosphate phosphatase, MAGNESIUM ION | | Authors: | Biswas, T, Larrouy-Maumus, G, de Carvalho, L.P, Tsodikov, O.V. | | Deposit date: | 2012-12-05 | | Release date: | 2013-07-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Discovery of a glycerol 3-phosphate phosphatase reveals glycerophospholipid polar head recycling in Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4I9F
 | | Crystal structure of glycerol phosphate phosphatase Rv1692 from Mycobacterium tuberculosis in complex with calcium | | Descriptor: | CALCIUM ION, CHLORIDE ION, Glycerol 3-phosphate phosphatase | | Authors: | Biswas, T, Larrouy-Maumus, G, de Carvalho, L.P, Tsodikov, O.V. | | Deposit date: | 2012-12-05 | | Release date: | 2013-07-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Discovery of a glycerol 3-phosphate phosphatase reveals glycerophospholipid polar head recycling in Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4IJJ
 | | Structure of transcription factor DksA2 from Pseudomonas aeruginosa | | Descriptor: | Putative C4-type zinc finger protein, DksA/TraR family, SULFATE ION | | Authors: | Biswas, T, Furman, R, Artsimovitch, I, Tsodikov, O.V. | | Deposit date: | 2012-12-21 | | Release date: | 2013-02-27 | | Last modified: | 2013-03-27 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | DksA2, a zinc-independent structural analog of the transcription factor DksA.
Febs Lett., 587, 2013
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6VV0
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1354 | | Descriptor: | 2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2020-02-16 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
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6VUX
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT388 | | Descriptor: | 2-{[(7S)-4-amino-7-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-(piperidin-1-yl)ethyl]acetamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2020-02-16 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
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6VUY
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT358 | | Descriptor: | (7S)-7-phenyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2020-02-16 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
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