8D23
 
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT529 | | Descriptor: | 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-3-yl)methyl]methanamine, GLYCEROL, N-acetyltransferase Eis | | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2022-05-27 | | Release date: | 2022-09-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity.
Eur.J.Med.Chem., 242, 2022
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6DY9
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5E8G
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8CT0
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5E8I
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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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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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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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8F4A
 | | Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with chlorhexidine | | Descriptor: | 1-[6-[azanylidene-[[azanylidene-[[(4-chlorophenyl)amino]methyl]-$l^{4}-azanyl]methyl]-$l^{4}-azanyl]hexyl]-3-[~{N}-(4-chlorophenyl)carbamimidoyl]guanidine, GLYCEROL, N-acetyltransferase Eis | | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2022-11-10 | | Release date: | 2023-02-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
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8F55
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis H37Rv in complex with inhibitor SGT1614 | | Descriptor: | (2E)-2-[(4-chlorophenyl)methylidene]hydrazine-1-carboximidamide, 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 (2.2 Å) | | Cite: | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
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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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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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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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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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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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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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2R5U
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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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5JW2
 | | Crystal structure of mithramycin analogue MTM SA-Phe in complex with a 10-mer DNA AGGGATCCCT | | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*AP*TP*CP*CP*CP*T)-3'), Plicamycin, mithramycin analogue MTM SA-Phe, ... | | Authors: | Hou, C, Rohr, J, Tsodikov, O.V. | | Deposit date: | 2016-05-11 | | Release date: | 2016-09-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structures of mithramycin analogues bound to DNA and implications for targeting transcription factor FLI1.
Nucleic Acids Res., 44, 2016
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5JVT
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5JVW
 | | Crystal structure of mithramycin analogue MTM SA-Trp in complex with a 10-mer DNA AGAGGCCTCT. | | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*GP*CP*CP*TP*CP*T)-3'), Plicamycin, mithramycin analogue MTM SA-Trp, ... | | Authors: | Hou, C, Rohr, J, Tsodikov, O.V. | | Deposit date: | 2016-05-11 | | Release date: | 2016-09-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of mithramycin analogues bound to DNA and implications for targeting transcription factor FLI1.
Nucleic Acids Res., 44, 2016
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