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4M3E	Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches Descriptor: 4-(2-{[(propylsulfonyl)amino]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 (2.109 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
3CAG	Crystal structure of the oligomerization domain hexamer of the arginine repressor protein from Mycobacterium tuberculosis in complex with 9 arginines. Descriptor: ARGININE, Arginine repressor Authors: Cherney, L.T, Cherney, M.M, Garen, C.R, Lu, G.J, James, M.N.G, TB Structural Genomics Consortium (TBSGC) Deposit date: 2008-02-19 Release date: 2008-03-18 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure of the C-terminal domain of the arginine repressor protein from Mycobacterium tuberculosis. Acta Crystallogr.,Sect.D, 64, 2008
2ZJF	Crystal structure of Mycobacterium tuberculosis epoxide hydrolase B complexed with an inhibitor Descriptor: 1,3-DIPHENYLUREA, ACETATE ION, Probable epoxide hydrolase ephB Authors: Biswal, B.K, TB Structural Genomics Consortium (TBSGC) Deposit date: 2008-03-07 Release date: 2008-04-01 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.4 Å) Cite: The molecular structure of epoxide hydrolase B from Mycobacterium tuberculosis and its complex with a urea-based inhibitor. J.Mol.Biol., 381, 2008
4M3G	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)benzenesulfonamide, 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 (2.3 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
4FDF	Structural insights into putative molybdenum cofactor biosynthesis protein C (MoaC2) from Mycobacterium tuberculosis H37Rv Descriptor: Molybdenum cofactor biosynthesis protein C 2 Authors: Srivastava, V.K, Srivastava, S, Arora, A, Pratap, J.V. Deposit date: 2012-05-28 Release date: 2013-04-10 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.202 Å) Cite: Structural Insights into Putative Molybdenum Cofactor Biosynthesis Protein C (MoaC2) from Mycobacterium tuberculosis H37Rv. Plos One, 8, 2013
4OYR	Competition of the small inhibitor PT91 with large fatty acyl substrate of the Mycobacterium tuberculosis enoyl-ACP reductase InhA by induced substrate-binding loop refolding Descriptor: 2-(2-chloranylphenoxy)-5-hexyl-phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. Deposit date: 2014-02-13 Release date: 2014-04-30 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.2995 Å) Cite: A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
4OXK	Multiple binding modes of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA within a tetramer Descriptor: 3,6,9,12,15-pentaoxaoctadecan-17-amine, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, Enoyl-[acyl-carrier-protein] reductase [NADH], ... Authors: Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. Deposit date: 2014-02-05 Release date: 2014-04-30 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.8429 Å) Cite: A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
4OHU	Crystal structure of Mycobacterium tuberculosis InhA in complex with inhibitor PT92 Descriptor: 2-(2-bromophenoxy)-5-hexylphenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Li, H.J, Pan, P, Lai, C.T, Liu, N, Yu, W, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. Deposit date: 2014-01-18 Release date: 2014-04-30 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.598 Å) Cite: A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
4OXY	Substrate-binding loop movement with inhibitor PT10 in the tetrameric Mycobacterium tuberculosis enoyl-ACP reductase InhA Descriptor: 5-hexyl-2-(2-nitrophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Li, H.J, Sullivan, T.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. Deposit date: 2014-02-09 Release date: 2014-04-30 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.3501 Å) Cite: A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
2LX5	NMR solution structure of peptide epsilon(103-120) from Mycobacterium tuberculosis F-ATPsynthase Descriptor: ATP synthase epsilon chain Authors: Basak, S, Rishikesan, S, Gruber, G. Deposit date: 2012-08-14 Release date: 2012-11-07 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Variations of Subunit {varepsilon} of the Mycobacterium tuberculosis F1Fo ATP Synthase and a Novel Model for Mechanism of Action of the Tuberculosis Drug TMC207. Antimicrob.Agents Chemother., 57, 2013
4GO7	The regulatory subunit of aspartate kinase in complex with threonine from Mycobacterium tuberculosis Descriptor: Aspartokinase, THREONINE Authors: Yang, Q, Li, X. Deposit date: 2012-08-19 Release date: 2012-09-05 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural view of the regulatory subunit of aspartate kinase from Mycobacterium tuberculosis. Protein Cell, 2, 2011
2W3G	Air-oxidized structure of the first GAF domain of Mycobacterium tuberculosis DosS Descriptor: CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, TWO COMPONENT SENSOR HISTIDINE KINASE DEVS (GAF FAMILY PROTEIN) Authors: Kang, B.S, Cho, H.Y, Cho, H.J. Deposit date: 2008-11-12 Release date: 2009-03-10 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Structural Insight Into the Heme-Based Redox Sensing by Doss from Mycobacterium Tuberculosis. J.Biol.Chem., 284, 2009
2D55	Structural, physical and biological characteristics of RNA.DNA binding agent N8-actinomycin D Descriptor: ACTINOMYCIN D, DNA (5'-D(*GP*AP*AP*GP*CP*TP*TP*C)-3') Authors: Shinomiya, M, Chu, W, Carlson, R.G, Weaver, R.F, Takusagawa, F. Deposit date: 1995-05-01 Release date: 1995-10-15 Last modified: 2024-07-10 Method: X-RAY DIFFRACTION (3 Å) Cite: Crystal Structure of the 2:1 Complex between D(Gaagcttc) and the Anticancer Drug Actinomycin D. J.Mol.Biol., 225, 1992
1PFE	Echinomycin-(gcgtacgc)2 complex Descriptor: 2-CARBOXYQUINOXALINE, 5'-D(*GP*CP*GP*TP*AP*CP*GP*C)-3', CHLORIDE ION, ... Authors: Cuesta-Seijo, J.A. Deposit date: 2003-05-26 Release date: 2004-06-08 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Structures of Complexes between Echinomycin and Duplex DNA. Acta Crystallogr.,Sect.D, 61, 2005
3VOS	Crystal structure of Aspartate semialdehyde dehydrogenase Complexed With glycerol and sulfate From Mycobacterium tuberculosis H37Rv Descriptor: Aspartate-semialdehyde dehydrogenase, GLYCEROL, SULFATE ION Authors: Vyas, R, Tewari, R, Weiss, M.S, Karthikeyan, S. Deposit date: 2012-02-07 Release date: 2012-05-30 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.18 Å) Cite: Structures of ternary complexes of aspartate-semialdehyde dehydrogenase (Rv3708c) from Mycobacterium tuberculosis H37Rv Acta Crystallogr.,Sect.D, 68, 2012
2VHZ	Crystal structure of holo L-alanine dehydrogenase from Mycobacterium tuberculosis in the closed conformation Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ALANINE DEHYDROGENASE Authors: Agren, D, Schneider, G. Deposit date: 2007-11-26 Release date: 2008-03-11 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.04 Å) Cite: Three-Dimensional Structures of Apo- and Holo-L-Alanine Dehydrogenase from Mycobacterium Tuberculosis Reveal Conformational Changes Upon Coenzyme Binding. J.Mol.Biol., 377, 2008
2VHW	Crystal structure of holo L-alanine dehydrogenase from Mycobacterium tuberculosis in the open and closed conformation Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ALANINE DEHYDROGENASE, MAGNESIUM ION Authors: Agren, D, Schneider, G. Deposit date: 2007-11-26 Release date: 2008-03-11 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2 Å) Cite: Three-Dimensional Structures of Apo- and Holo-L-Alanine Dehydrogenase from Mycobacterium Tuberculosis Reveal Conformational Changes Upon Coenzyme Binding. J.Mol.Biol., 377, 2008
2VHY	Crystal structure of apo L-alanine dehydrogenase from Mycobacterium tuberculosis Descriptor: ALANINE DEHYDROGENASE Authors: Agren, D, Schneider, G. Deposit date: 2007-11-26 Release date: 2008-03-11 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Three-Dimensional Structures of Apo- and Holo-L-Alanine Dehydrogenase from Mycobacterium Tuberculosis Reveal Conformational Changes Upon Coenzyme Binding. J.Mol.Biol., 377, 2008
4LOM	Crystal Structure of Mycobacterium tuberculosis HisB in complex with its substrate Descriptor: (2R,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate, Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION Authors: Ahangar, M.S, Vyas, R, Nasir, N, Biswal, B.K. Deposit date: 2013-07-13 Release date: 2013-08-28 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal structures of the native, substrate- bound and inhibited forms of Mycobacterium tuberculosis imidazole glycerol phosphate dehydratase Acta Crystallogr.,Sect.D, 2013
1FZT	SOLUTION STRUCTURE AND DYNAMICS OF AN OPEN B-SHEET, GLYCOLYTIC ENZYME-MONOMERIC 23.7 KDA PHOSPHOGLYCERATE MUTASE FROM SCHIZOSACCHAROMYCES POMBE Descriptor: PHOSPHOGLYCERATE MUTASE Authors: Uhrinova, S, Uhrin, D, Nairn, J, Price, N.C, Fothergill-Gilmore, L.A. Deposit date: 2000-10-04 Release date: 2001-03-14 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: Solution structure and dynamics of an open beta-sheet, glycolytic enzyme, monomeric 23.7 kDa phosphoglycerate mutase from Schizosaccharomyces pombe. J.Mol.Biol., 306, 2001
4ISY	Crystal structure of IscS from Mycobacterium tuberculosis Descriptor: Cysteine desulfurase, GLYCEROL, SULFATE ION Authors: Rybniker, J, Pojer, F, Cole, S.T. Deposit date: 2013-01-17 Release date: 2014-02-26 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.59 Å) Cite: The cysteine desulfurase IscS of Mycobacterium tuberculosis is involved in iron-sulfur cluster biogenesis and oxidative stress defence. Biochem.J., 459, 2014
3T5A	Crystal structure of N-terminal domain of FAAL28 G330W mutant from Mycobacterium tuberculosis Descriptor: Long-chain-fatty-acid--AMP ligase FadD28 Authors: Goyal, A, Sankaranarayanan, R. Deposit date: 2011-07-27 Release date: 2012-01-25 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Molecular basis of the functional divergence of fatty acyl-AMP ligase biosynthetic enzymes of Mycobacterium tuberculosis. J.Mol.Biol., 416, 2012
4E1R	Crystal structure of the dimerization domain of Lsr2 from Mycobacterium tuberculosis in the P 31 2 1 space group Descriptor: Protein lsr2 Authors: Summers, E.L, Meindl, K, Uson, I, Arcus, V.L. Deposit date: 2012-03-06 Release date: 2012-06-20 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.041 Å) Cite: The structure of the oligomerization domain of Lsr2 from Mycobacterium tuberculosis reveals a mechanism for chromosome organization and protection. Plos One, 7, 2012
4IPS	Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121 Descriptor: (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazin-2-one, Cytochrome P450 121, GLYCEROL, ... Authors: Fonvielle, M, LeDu, M.H, Lequin, O, Lecoq, A, Jacquet, M, Thai, R, Dubois, S, Grach, G, Gondry, M, Belin, P. Deposit date: 2013-01-10 Release date: 2013-05-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Substrate and Reaction Specificity of Mycobacterium tuberculosis Cytochrome P450 CYP121: INSIGHTS FROM BIOCHEMICAL STUDIES AND CRYSTAL STRUCTURES. J.Biol.Chem., 288, 2013
4LPF	Crystal structure of Mycobacterium tuberculosis imidazole glycerol phosphate dehydratase in complex with an inhibitor Descriptor: 3-AMINO-1,2,4-TRIAZOLE, Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION Authors: Ahangar, M.S, Vyas, R, Nasir, N, Biswal, B.K. Deposit date: 2013-07-16 Release date: 2013-08-28 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Crystal structures of the native, substrate- bound and inhibited forms of Mycobacterium tuberculosis imidazole glycerol phosphate dehydratase Acta Crystallogr.,Sect.D, 2013

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