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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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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3ITW
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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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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
| 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
| 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
| 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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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
| 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
| 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
| 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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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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7JSL
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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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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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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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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
| 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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5DBJ
| Crystal structure of halogenase PltA | Descriptor: | CHLORIDE ION, FADH2-dependent halogenase PltA, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Pang, A.H, Tsodikov, O.V. | Deposit date: | 2015-08-21 | Release date: | 2015-10-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of halogenase PltA from the pyoluteorin biosynthetic pathway. J.Struct.Biol., 192, 2015
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9BDX
| NF-kappaB RelA homo-dimer bound to CG-centric kappaB DNA | Descriptor: | DNA (5'-D(*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*GP*TP*TP*CP*CP*CP*AP*GP*T)-3'), DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*CP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), Transcription factor p65 | Authors: | Biswas, T, Shahabi, S, Tsodikov, O.V, Ghosh, G. | Deposit date: | 2024-04-12 | Release date: | 2024-04-24 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA. Proc.Natl.Acad.Sci.USA, 121, 2024
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9BDV
| NF-kappaB RelA homo-dimer bound to TA-centric kappaB DNA | Descriptor: | DNA (5'-D(*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*AP*GP*T)-3'), DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), SULFATE ION, ... | Authors: | Biswas, T, Shahabi, S, Tsodikov, O.V. | Deposit date: | 2024-04-12 | Release date: | 2024-04-24 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA. Proc.Natl.Acad.Sci.USA, 121, 2024
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9BDW
| NF-kappaB RelA homo-dimer bound to GC-centric kappaB DNA | Descriptor: | DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*GP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*CP*TP*TP*CP*CP*CP*AP*GP*T)-3'), SULFATE ION, ... | Authors: | Biswas, T, Shahabi, S, Tsodikov, O.V, Huang, D, Ghosh, G. | Deposit date: | 2024-04-12 | Release date: | 2024-04-24 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA. Proc.Natl.Acad.Sci.USA, 121, 2024
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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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