4ICT
| Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121 | Descriptor: | (3S,6S)-3-benzyl-6-(4-hydroxybenzyl)piperazine-2,5-dione, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Fonvielle, M, Le Du, M.-H, Lequin, O, Lecoq, A, Jacquet, M, Thai, R, Dubois, S, Grach, G, Gondry, M, Belin, P. | Deposit date: | 2012-12-11 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Substrate and Reaction Specificity of Mycobacterium tuberculosis Cytochrome P450 CYP121: INSIGHTS FROM BIOCHEMICAL STUDIES AND CRYSTAL STRUCTURES. J.Biol.Chem., 288, 2013
|
|
2VP8
| Structure of Mycobacterium tuberculosis Rv1207 | Descriptor: | 1,2-ETHANEDIOL, DIHYDROPTEROATE SYNTHASE 2 | Authors: | Gengenbacher, M, Xu, T, Niyomwattanakit, P, Spraggon, G, Dick, T. | Deposit date: | 2008-02-27 | Release date: | 2008-08-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Biochemical and Structural Characterization of the Putative Dihydropteroate Synthase Ortholog Rv1207 of Mycobacterium Tuberculosis. Fems Microbiol.Lett., 287, 2008
|
|
3TX4
| Crystal Structure of Mutant (C354A) M. tuberculosis LD-transpeptidase type 2 | Descriptor: | Mycobacterium Tuberculosis LD-transpeptidase type 2 | Authors: | Erdemli, S, Bianchet, M.A, Gupta, R, Lamichhane, G, Amzel, L.M. | Deposit date: | 2011-09-22 | Release date: | 2012-12-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Targeting the Cell Wall of Mycobacterium tuberculosis: Structure and Mechanism of L,D-Transpeptidase 2. Structure, 20, 2012
|
|
2YW7
| Crystal structure of C-terminal deletion mutant of Mycobacterium smegmatis Dps | Descriptor: | Starvation-induced DNA protecting protein | Authors: | Roy, S, Saraswathi, R, Gupta, S, Sekar, K, Chatterji, D, Vijayan, M. | Deposit date: | 2007-04-19 | Release date: | 2007-07-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Role of N and C-terminal Tails in DNA Binding and Assembly in Dps: Structural Studies of Mycobacterium smegmatis Dps Deletion Mutants J.Mol.Biol., 370, 2007
|
|
4BAE
| Optimisation of pyrroleamides as mycobacterial GyrB ATPase inhibitors: Structure Activity Relationship and in vivo efficacy in the mouse model of tuberculosis | Descriptor: | 2-[(3S,4R)-4-[(3-bromanyl-4-chloranyl-5-methyl-1H-pyrrol-2-yl)carbonylamino]-3-methoxy-piperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid, CALCIUM ION, DNA GYRASE SUBUNIT B, ... | Authors: | Read, J.A, Gingell, H.G, Madhavapeddi, P. | Deposit date: | 2012-09-13 | Release date: | 2013-10-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Optimization of Pyrrolamides as Mycobacterial Gyrb ATPase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis. Antimicrob.Agents Chemother., 58, 2014
|
|
2Y88
| CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS PHOSPHORIBOSYL ISOMERASE (VARIANT D11N) WITH BOUND PRFAR | Descriptor: | PHOSPHORIBOSYL ISOMERASE A, [(2R,3S,4R,5R)-5-[4-AMINOCARBONYL-5-[[(Z)-[(3R,4R)-3,4-DIHYDROXY-2-OXO-5-PHOSPHONOOXY-PENTYL]IMINOMETHYL]AMINO]IMIDAZOL-1-YL]-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE | Authors: | Kuper, J, Due, A.V, Geerlof, A, Wilmanns, M. | Deposit date: | 2011-02-03 | Release date: | 2011-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Bisubstrate Specificity in Histidine/Tryptophan Biosynthesis Isomerase from Mycobacterium Tuberculosis by Active Site Metamorphosis. Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
4KIW
| Design and structural analysis of aromatic inhibitors of type II dehydroquinate dehydratase from Mycobacterium tuberculosis - compound 49e [5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid] | Descriptor: | 3-dehydroquinate dehydratase, 5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid | Authors: | Dias, M.V.B, Howard, N.G, Blundell, T.L, Abell, C. | Deposit date: | 2013-05-02 | Release date: | 2014-05-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase from Mycobacterium tuberculosis. Chemmedchem, 10, 2015
|
|
4C50
| Crystal Structure of the Catalase-Peroxidase (KatG) D137S mutant from Mycobacterium Tuberculosis | Descriptor: | ACETATE ION, CATALASE-PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Hersleth, H.-P, Zhao, X, Magliozzo, R.S, Andersson, K.K. | Deposit date: | 2013-09-10 | Release date: | 2013-11-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Access Channel Residues Ser315 and Asp137 in Mycobacterium Tuberculosis Catalase-Peroxidase (Katg) Control Peroxidatic Activation of the Pro-Drug Isoniazid. Chem.Commun.(Camb.), 49, 2013
|
|
4KIU
| Design and structural analysis of aromatic inhibitors of type II dehydroquinate dehydratase from Mycobacterium tuberculosis - compound 49d [5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid] | Descriptor: | 3-dehydroquinate dehydratase, 5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid | Authors: | Dias, M.V.B, Howard, N.G, Blundell, T.L, Abell, C. | Deposit date: | 2013-05-02 | Release date: | 2014-05-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase from Mycobacterium tuberculosis. Chemmedchem, 10, 2015
|
|
4G3T
| Mycobacterium smegmatis DprE1 - hexagonal crystal form | Descriptor: | oxidoreductase DprE1 | Authors: | Li, H, Jogl, G. | Deposit date: | 2012-07-15 | Release date: | 2012-12-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.346 Å) | Cite: | Crystal structure of decaprenylphosphoryl-beta- D-ribose 2'-epimerase from Mycobacterium smegmatis. Proteins, 81, 2013
|
|
5OVJ
| Structure of the apo form of Mycobacterium smegmatis MabA | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] reductase FabG, SULFATE ION | Authors: | Kussau, T, Van Wyk, N, Viljoen, A, Olieric, V, Flipo, M, Kremer, L, Blaise, M. | Deposit date: | 2017-08-29 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural rearrangements occurring upon cofactor binding in the Mycobacterium smegmatis beta-ketoacyl-acyl carrier protein reductase MabA. Acta Crystallogr D Struct Biol, 74, 2018
|
|
4E1A
| Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis at 1.62A resolution | Descriptor: | GLYCEROL, Phosphopantetheine adenylyltransferase | Authors: | Timofeev, V.I, Smirnova, E.A, Chupova, L.A, Esipov, R.S, Kuranova, I.P. | Deposit date: | 2012-03-06 | Release date: | 2012-11-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | X-ray study of the conformational changes in the molecule of phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis during the catalyzed reaction. Acta Crystallogr.,Sect.D, 68, 2012
|
|
2VOS
| Mycobacterium tuberculosis Folylpolyglutamate synthase complexed with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, COBALT (II) ION, FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC, ... | Authors: | Young, P.G, Baker, E.N, Metcalf, P, Smith, C.A. | Deposit date: | 2008-02-19 | Release date: | 2008-07-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of Mycobacterium Tuberculosisfolylpolyglutamate Synthase Complexed with Adp and Amppcp. Acta Crystallogr.,Sect.D, 64, 2008
|
|
316D
| Selectivity of F8-actinomycin D for RNA:DNA hybrids and its anti-leukemia activity | Descriptor: | 8-FLUORO-ACTINOMYCIN D, DNA (5'-D(*GP*AP*AP*GP*CP*TP*TP*C)-3') | Authors: | Takusagawa, F, Takusagawa, K.T, Carlson, R.G, Weaver, R.F. | Deposit date: | 1997-03-05 | Release date: | 1997-11-05 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Selectivity of F8-Actinomycin D for RNA:DNA Hybrids and its Anti-Leukemia Activity. Bioorg.Med.Chem., 5, 1997
|
|
2XC3
| X-ray structure of Mycobacterium tuberculosis cyp125 bound to the reverse type I inhibitor | Descriptor: | NALPHA-[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]-N-PYRIDIN-4-YL-D-TRYPTOPHANAMIDE, PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 125 | Authors: | Ouellet, H, Kells, P.M, Ortiz de Montellano, P.R, Podust, L.M. | Deposit date: | 2010-04-16 | Release date: | 2010-11-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Reverse Type I Inhibitor of Mycobacteriumtuberculosis Cyp125A1. Bioorg.Med.Chem.Lett., 21, 2011
|
|
2XKR
| Crystal Structure of Mycobacterium tuberculosis CYP142: A novel cholesterol oxidase | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 142, TETRAETHYLENE GLYCOL | Authors: | Driscoll, M, McLean, K.J, Levy, C.W, Lafite, P, Mast, N, Pikuleva, I.A, Rigby, S.E.J, Leys, D, Munro, A.W. | Deposit date: | 2010-07-12 | Release date: | 2010-09-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Structural and Biochemical Characterization of Mycobacterium Tuberculosis Cyp142: Evidence for Multiple Cholesterol 27-Hydroxylase Activities in a Human Pathogen. J.Biol.Chem., 285, 2010
|
|
5OP9
| The crystal structure of P450 CYP121 in complex with lead compound 7e | Descriptor: | 4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Levy, C.W. | Deposit date: | 2017-08-09 | Release date: | 2018-03-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.455 Å) | Cite: | Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation. J. Med. Chem., 60, 2017
|
|
6S0U
| The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel and 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T. | Deposit date: | 2019-06-18 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates. Febs J., 288, 2021
|
|
2WTZ
| MurE ligase of Mycobacterium Tuberculosis | Descriptor: | MAGNESIUM ION, UDP-N-ACETYLMURAMOYL-L-ALANYL-D-GLUTAMATE--2,6-DIAMINOPIMELATE LIGASE, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE-D-GLUTAMATE | Authors: | Basavannacharya, C, Robertson, G, Munshi, T, Keep, N.H, Bhakta, S. | Deposit date: | 2009-09-25 | Release date: | 2009-12-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | ATP-Dependent Mure Ligase in Mycobacterium Tuberculosis: Biochemical and Structural Characterisation. Tuberculosis(Edinb.), 90, 2010
|
|
6S0R
| The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus complex with nickel, sulfate and chloride | Descriptor: | CHLORIDE ION, Kanamycin B dioxygenase, NICKEL (II) ION, ... | Authors: | Mrugala, B, Porebski, P.J, Niedzialkowska, E, Cymborowski, M.T, Minor, W, Borowski, T. | Deposit date: | 2019-06-18 | Release date: | 2020-07-08 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates. Febs J., 288, 2021
|
|
4ONC
| Crystal Structure of Mycobacterium Tuberculosis Decaprenyl Diphosphate Synthase in Complex with BPH-640 | Descriptor: | Decaprenyl diphosphate synthase, [hydroxy(1,1':3',1''-terphenyl-3-yl)methanediyl]bis(phosphonic acid) | Authors: | Feng, X, Chan, H.C, Ko, T.P. | Deposit date: | 2014-01-28 | Release date: | 2014-04-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structure and Inhibition of Tuberculosinol Synthase and Decaprenyl Diphosphate Synthase from Mycobacterium tuberculosis J.Am.Chem.Soc., 136, 2014
|
|
6S0T
| The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, sulfate, soaked with iodide | Descriptor: | IODIDE ION, Kanamycin B dioxygenase, NICKEL (II) ION, ... | Authors: | Mrugala, B, Porebski, P.J, Niedzialkowska, E, Cymborowski, M.T, Minor, W, Borowski, T. | Deposit date: | 2019-06-18 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates. Febs J., 288, 2021
|
|
1MNV
| Actinomycin D binding to ATGCTGCAT | Descriptor: | 5'-D(*AP*TP*GP*CP*TP*GP*CP*AP*T)-3', ACTINOMYCIN D | Authors: | Hou, M.-H, Robinson, H, Gao, Y.-G, Wang, A.H.-J. | Deposit date: | 2002-09-06 | Release date: | 2002-11-22 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of Actinomycin D Bound to the Ctg Triplet Repeat Sequences Linked to Neurological Diseases Nucleic Acids Res., 30, 2002
|
|
2WU8
| |
5OPA
| The crystal structure of P450 CYP121 in complex with lead compound 7b | Descriptor: | 3-(4-fluorophenyl)-4-(imidazol-1-ylmethyl)-1-phenyl-pyrazole, DI(HYDROXYETHYL)ETHER, Mycocyclosin synthase, ... | Authors: | Levy, C.W. | Deposit date: | 2017-08-09 | Release date: | 2018-03-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.345 Å) | Cite: | Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation. J. Med. Chem., 60, 2017
|
|