4M3B
| Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches | Descriptor: | 4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR | Authors: | Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. | Deposit date: | 2013-08-06 | Release date: | 2014-06-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches. J.Med.Chem., 57, 2014
|
|
2YVE
| Crystal structure of the methylene blue-bound form of the multi-drug binding transcriptional repressor CgmR | Descriptor: | 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, CHLORIDE ION, GLYCEROL, ... | Authors: | Itou, H, Shirakihara, Y, Tanaka, I. | Deposit date: | 2007-04-12 | Release date: | 2008-04-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structures of the Multidrug Binding Repressor Corynebacteriumglutamicum CgmR in Complex with Inducers and with an Operator J.Mol.Biol., 403, 2010
|
|
2ZOZ
| Crystal structure of the ethidium-bound form of the multi-drug binding transcriptional repressor CgmR | Descriptor: | ETHIDIUM, GLYCEROL, SULFATE ION, ... | Authors: | Itou, H, Shirakihara, Y, Tanaka, I. | Deposit date: | 2008-06-20 | Release date: | 2008-07-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structures of the Multidrug Binding Repressor Corynebacteriumglutamicum CgmR in Complex with Inducers and with an Operator J.Mol.Biol., 403, 2010
|
|
6CC0
| |
3G1M
| EthR from Mycobacterium tuberculosis in complex with compound BDM31381 | Descriptor: | 1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine, TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR | Authors: | Willand, N, Dirie, B, Carette, X, Bifani, P, Singhal, A, Desroses, M, Leroux, F, Willery, E, Mathys, V, Deprez-Poulain, R, Delcroix, G, Frenois, F, Aumercier, M, Locht, C, Villeret, V, Deprez, B, Baulard, A.R. | Deposit date: | 2009-01-30 | Release date: | 2009-07-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Synthetic EthR inhibitors boost antituberculous activity of ethionamide. Nat.Med. (N.Y.), 15, 2009
|
|
4A7J
| Symmetric Dimethylation of H3 Arginine 2 is a Novel Histone Mark that Supports Euchromatin Maintenance | Descriptor: | HISTONE H3.1T, WD REPEAT-CONTAINING PROTEIN 5 | Authors: | Migliori, V, Muller, J, Phalke, S, Low, D, Bezzi, M, ChuenMok, W, Gunaratne, J, Capasso, P, Bassi, C, Cecatiello, V, DeMarco, A, Blackstock, W, Kuznetsov, V, Amati, B, Mapelli, M, Guccione, E. | Deposit date: | 2011-11-14 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Symmetric Dimethylation of H3R2 is a Newly Identified Histone Mark that Supports Euchromatin Maintenance Nat.Struct.Mol.Biol., 19, 2012
|
|
3OB7
| Human Thymidylate Synthase R163K with Cys 195 covalently modified by Glutathione | Descriptor: | GLUTATHIONE, PHOSPHATE ION, Thymidylate synthase | Authors: | Gibson, L.M, Celeste, L.R, Lovelace, L.L, Lebioda, L. | Deposit date: | 2010-08-06 | Release date: | 2010-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structures of human thymidylate synthase R163K with dUMP, FdUMP and glutathione show asymmetric ligand binding. Acta Crystallogr.,Sect.D, 67, 2011
|
|
2ZFZ
| Crystal structure of the C-terminal domain hexamer of ArgR from Mycobacterium tuberculosis in complex with arginine | Descriptor: | ARGININE, Arginine repressor, GUANIDINE | Authors: | Cherney, L.T, Cherney, M.M, Garen, C.R, Lu, G.J, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2008-01-16 | Release date: | 2008-02-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of the C-terminal domain of the arginine repressor protein from Mycobacterium tuberculosis. Acta Crystallogr.,Sect.D, 64, 2008
|
|
3ZQL
| DNA-bound form of TetR-like repressor SimR | Descriptor: | 5'-D(*DTP*TP*CP*GP*TP*AP*CP*GP*CP*CP*GP*TP*AP*DCP *GP*AP*A)-3', 5'-D(*DTP*TP*CP*GP*TP*AP*CP*GP*GP*CP*GP*TP*AP*DCP *GP*AP*A)-3', PUTATIVE REPRESSOR SIMREG2 | Authors: | Le, T.B.K, Schumacher, M.A, Lawson, D.M, Brennan, R.G, Buttner, M.J. | Deposit date: | 2011-06-10 | Release date: | 2011-08-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | The Crystal Structure of the Tetr Family Transcriptional Repressor Simr Bound to DNA and the Role of a Flexible N-Terminal Extension in Minor Groove Binding. Nucleic Acids Res., 39, 2011
|
|
3WGG
| Crystal structure of RSP in complex with alpha-NAD+ | Descriptor: | Redox-sensing transcriptional repressor rex, SULFATE ION, alpha-Diphosphopyridine nucleotide | Authors: | Zheng, Y, Ko, T.-P, Guo, R.-T. | Deposit date: | 2013-08-05 | Release date: | 2014-08-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Binding mode of the oxidized alpha-anomer of NAD(+) to RSP, a Rex-family repressor Biochem.Biophys.Res.Commun., 456, 2015
|
|
4D5C
| |
4D5F
| |
2O7O
| Crystal structure analysis of TetR(D) complex with doxycycline | Descriptor: | (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Aleksandrov, A, Proft, J, Hinrichs, W. | Deposit date: | 2006-12-11 | Release date: | 2007-05-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Protonation Patterns in Tetracycline:Tet Repressor Recognition: Simulations and Experiments Chembiochem, 8, 2007
|
|
3TP0
| Structural activation of the transcriptional repressor EthR from M. tuberculosis by single amino-acid change mimicking natural and synthetic ligands | Descriptor: | 3-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile, HTH-type transcriptional regulator EthR | Authors: | Carette, X, Blondiaux, N, Willery, E, Hoos, S, Lecat-Guillet, N, Lens, Z, Wohlkonig, A, Wintjens, R, Soror, S, Fr nois, F, Diri, B, Villeret, V, England, P, Lippens, G, Deprez, B, Locht, C, Willand, N, Baulard, A. | Deposit date: | 2011-09-07 | Release date: | 2011-12-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands. Nucleic Acids Res., 40, 2011
|
|
3V4G
| 1.60 Angstrom resolution crystal structure of an arginine repressor from Vibrio vulnificus CMCP6 | Descriptor: | Arginine repressor | Authors: | Halavaty, A.S, Minasov, G, Filippova, E, Shuvalova, L, Winsor, J, Dubrovska, I, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-12-14 | Release date: | 2012-01-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 1.60 Angstrom resolution crystal structure of an arginine repressor from Vibrio vulnificus CMCP6 To be Published
|
|
3SDG
| Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug Design to Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors. | Descriptor: | 4,4,4-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one, HTH-type transcriptional regulator EthR | Authors: | Flipo, M, Desroses, M, Lecat-Guillet, N, Villemagne, B, Blondiaux, N, Leroux, F, Piveteau, C, Mathys, V, Flament, M.P, Siepmann, J, Villeret, V, Wohlkonig, A, Wintjens, R, Soror, S.H, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, D prez, B, Baulard, A.R, Willand, N. | Deposit date: | 2011-06-09 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Ethionamide Boosters. 2. Combining Bioisosteric Replacement and Structure-Based Drug Design To Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors. J.Med.Chem., 55, 2012
|
|
1ZT9
| E. coli trp repressor, tetragonal crystal form | Descriptor: | SULFATE ION, TRYPTOPHAN, Trp operon repressor | Authors: | Lawson, C.L, Chin, A.S, Benoff, B, Yung, B.H. | Deposit date: | 2005-05-26 | Release date: | 2006-05-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Two association modes for E. coli trp repressor dimer-dimer interactions To be Published
|
|
3WGH
| Crystal structure of RSP in complex with beta-NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CACODYLATE ION, Redox-sensing transcriptional repressor rex, ... | Authors: | Zheng, Y, Ko, T.-P, Guo, R.-T. | Deposit date: | 2013-08-05 | Release date: | 2014-08-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Distinct structural features of Rex-family repressors to sense redox levels in anaerobes and aerobes. J.Struct.Biol., 188, 2014
|
|
3WGI
| Crystal structure of RSP in complex with beta-NAD+ and operator DNA | Descriptor: | DNA (5'-D(*TP*AP*GP*AP*TP*TP*GP*TP*TP*AP*AP*TP*CP*GP*AP*TP*TP*AP*AP*CP*AP*AP*TP*C)-3'), NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), Redox-sensing transcriptional repressor rex | Authors: | Zheng, Y, Ko, T.-P, Guo, R.-T. | Deposit date: | 2013-08-05 | Release date: | 2014-08-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Distinct structural features of Rex-family repressors to sense redox levels in anaerobes and aerobes. J.Struct.Biol., 188, 2014
|
|
4J2X
| CSL (RBP-Jk) with corepressor KyoT2 bound to DNA | Descriptor: | 1,2-ETHANEDIOL, 5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*AP*GP*T)-3', 5'-D(*TP*TP*AP*CP*TP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3', ... | Authors: | Collins, K.J, Kovall, R.A. | Deposit date: | 2013-02-05 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure and Function of the CSL-KyoT2 Corepressor Complex: A Negative Regulator of Notch Signaling. Structure, 22, 2014
|
|
5X8Q
| Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With rockogenin. | Descriptor: | (1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2 | Authors: | Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T. | Deposit date: | 2017-03-03 | Release date: | 2017-06-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment Genes Cells, 22, 2017
|
|
5X8X
| Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With Compound A. | Descriptor: | (3R,4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2 | Authors: | Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T. | Deposit date: | 2017-03-03 | Release date: | 2017-06-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment Genes Cells, 22, 2017
|
|
1IGU
| |
1ZWK
| |
1ZWL
| |