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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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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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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5E8G
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2R5U
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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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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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2HIK
 | | heterotrimeric PCNA sliding clamp | | Descriptor: | PCNA1 (SSO0397), PCNA2 (SSO1047), PCNA3 (SSO0405) | | Authors: | Pascal, J.M, Tsodikov, O.V, Ellenberger, T. | | Deposit date: | 2006-06-29 | | Release date: | 2006-11-07 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | A Flexible Interface between DNA Ligase and PCNA Supports Conformational Switching and Efficient Ligation of DNA.
Mol.Cell, 24, 2006
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2HII
 | | heterotrimeric PCNA sliding clamp | | Descriptor: | PCNA1 (SSO0397), PCNA2 (SSO1047), PCNA3 (SSO0405) | | Authors: | Pascal, J.M, Tsodikov, O.V, Ellenberger, T. | | Deposit date: | 2006-06-29 | | Release date: | 2006-11-07 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | A Flexible Interface between DNA Ligase and PCNA Supports Conformational Switching and Efficient Ligation of DNA.
Mol.Cell, 24, 2006
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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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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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3K6Z
 | | Crystal structure of Rv3671c protease, inactive 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 (1.75 Å) | | Cite: | Structural insight into serine protease Rv3671c that Protects M. tuberculosis from oxidative and acidic stress.
Structure, 18, 2010
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3I6B
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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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4RPA
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4RV9
 | | Crystal structure of MtmC in complex with SAH | | Descriptor: | ACETATE ION, CHLORIDE ION, D-mycarose 3-C-methyltransferase, ... | | Authors: | Hou, C, Chen, J.-M, Rohr, J, Tsodikov, O.V. | | Deposit date: | 2014-11-25 | | Release date: | 2015-02-04 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Insight into MtmC, a Bifunctional Ketoreductase-Methyltransferase Involved in the Assembly of the Mithramycin Trisaccharide Chain.
Biochemistry, 54, 2015
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6OW0
 | | Crystal structure of mithramycin 3-side chain keto-reductase MtmW in complex with NAD+ and PEG | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, MtmW, ... | | Authors: | Hou, C, Yu, X, Rohr, J, Tsodikov, O.V. | | Deposit date: | 2019-05-08 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Discovery of a Cryptic Intermediate in Late Steps of Mithramycin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6OVX
 | | Crystal structure of mithramycin 3-side chain keto-reductase MtmW in complex with NAD+, P422 form | | Descriptor: | GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative side chain reductase | | Authors: | Hou, C, Yu, X, Rohr, J, Tsodikov, O.V. | | Deposit date: | 2019-05-08 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a Cryptic Intermediate in Late Steps of Mithramycin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 59, 2020
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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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6VV2
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1348 | | Descriptor: | 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 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 (2.95 Å) | | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
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6VUT
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT392 | | Descriptor: | 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]acetamide, DI(HYDROXYETHYL)ETHER, 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 (2.73 Å) | | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
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