PDB: 22592 件ウェブページステータス検索Chemie searchBIRD

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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 分子名称: 4-(2-{[(propylsulfonyl)amino]methyl}-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR 著者 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. 登録日 2013-08-06 公開日 2014-06-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.109 Å) 主引用文献 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. 分子名称: ARGININE, Arginine repressor 著者 Cherney, L.T, Cherney, M.M, Garen, C.R, Lu, G.J, James, M.N.G, TB Structural Genomics Consortium (TBSGC) 登録日 2008-02-19 公開日 2008-03-18 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 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 分子名称: 1,3-DIPHENYLUREA, ACETATE ION, Probable epoxide hydrolase ephB 著者 Biswal, B.K, TB Structural Genomics Consortium (TBSGC) 登録日 2008-03-07 公開日 2008-04-01 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 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 分子名称: 4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide, HTH-type transcriptional regulator EthR 著者 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. 登録日 2013-08-06 公開日 2014-06-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 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 分子名称: Molybdenum cofactor biosynthesis protein C 2 著者 Srivastava, V.K, Srivastava, S, Arora, A, Pratap, J.V. 登録日 2012-05-28 公開日 2013-04-10 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.202 Å) 主引用文献 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 分子名称: 2-(2-chloranylphenoxy)-5-hexyl-phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE 著者 Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. 登録日 2014-02-13 公開日 2014-04-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.2995 Å) 主引用文献 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 分子名称: 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], ... 著者 Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. 登録日 2014-02-05 公開日 2014-04-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.8429 Å) 主引用文献 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 分子名称: 2-(2-bromophenoxy)-5-hexylphenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE 著者 Li, H.J, Pan, P, Lai, C.T, Liu, N, Yu, W, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. 登録日 2014-01-18 公開日 2014-04-30 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.598 Å) 主引用文献 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 分子名称: 5-hexyl-2-(2-nitrophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE 著者 Li, H.J, Sullivan, T.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. 登録日 2014-02-09 公開日 2014-04-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.3501 Å) 主引用文献 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 分子名称: ATP synthase epsilon chain 著者 Basak, S, Rishikesan, S, Gruber, G. 登録日 2012-08-14 公開日 2012-11-07 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 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 分子名称: Aspartokinase, THREONINE 著者 Yang, Q, Li, X. 登録日 2012-08-19 公開日 2012-09-05 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 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 分子名称: CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, TWO COMPONENT SENSOR HISTIDINE KINASE DEVS (GAF FAMILY PROTEIN) 著者 Kang, B.S, Cho, H.Y, Cho, H.J. 登録日 2008-11-12 公開日 2009-03-10 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 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 分子名称: ACTINOMYCIN D, DNA (5'-D(*GP*AP*AP*GP*CP*TP*TP*C)-3') 著者 Shinomiya, M, Chu, W, Carlson, R.G, Weaver, R.F, Takusagawa, F. 登録日 1995-05-01 公開日 1995-10-15 最終更新日 2024-07-10 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 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 分子名称: 2-CARBOXYQUINOXALINE, 5'-D(*GP*CP*GP*TP*AP*CP*GP*C)-3', CHLORIDE ION, ... 著者 Cuesta-Seijo, J.A. 登録日 2003-05-26 公開日 2004-06-08 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 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 分子名称: Aspartate-semialdehyde dehydrogenase, GLYCEROL, SULFATE ION 著者 Vyas, R, Tewari, R, Weiss, M.S, Karthikeyan, S. 登録日 2012-02-07 公開日 2012-05-30 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 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 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ALANINE DEHYDROGENASE 著者 Agren, D, Schneider, G. 登録日 2007-11-26 公開日 2008-03-11 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 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 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ALANINE DEHYDROGENASE, MAGNESIUM ION 著者 Agren, D, Schneider, G. 登録日 2007-11-26 公開日 2008-03-11 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 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 分子名称: ALANINE DEHYDROGENASE 著者 Agren, D, Schneider, G. 登録日 2007-11-26 公開日 2008-03-11 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 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 分子名称: (2R,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate, Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION 著者 Ahangar, M.S, Vyas, R, Nasir, N, Biswal, B.K. 登録日 2013-07-13 公開日 2013-08-28 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 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 分子名称: PHOSPHOGLYCERATE MUTASE 著者 Uhrinova, S, Uhrin, D, Nairn, J, Price, N.C, Fothergill-Gilmore, L.A. 登録日 2000-10-04 公開日 2001-03-14 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 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 分子名称: Cysteine desulfurase, GLYCEROL, SULFATE ION 著者 Rybniker, J, Pojer, F, Cole, S.T. 登録日 2013-01-17 公開日 2014-02-26 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2.59 Å) 主引用文献 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 分子名称: Long-chain-fatty-acid--AMP ligase FadD28 著者 Goyal, A, Sankaranarayanan, R. 登録日 2011-07-27 公開日 2012-01-25 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 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 分子名称: Protein lsr2 著者 Summers, E.L, Meindl, K, Uson, I, Arcus, V.L. 登録日 2012-03-06 公開日 2012-06-20 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.041 Å) 主引用文献 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 分子名称: (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazin-2-one, Cytochrome P450 121, GLYCEROL, ... 著者 Fonvielle, M, LeDu, M.H, Lequin, O, Lecoq, A, Jacquet, M, Thai, R, Dubois, S, Grach, G, Gondry, M, Belin, P. 登録日 2013-01-10 公開日 2013-05-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 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 分子名称: 3-AMINO-1,2,4-TRIAZOLE, Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION 著者 Ahangar, M.S, Vyas, R, Nasir, N, Biswal, B.K. 登録日 2013-07-16 公開日 2013-08-28 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 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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