3KUW
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![BU of 3kuw by Molmil](/molmil-images/mine/3kuw) | Structural basis of the activity ans substrate specificity of the fluoroacetyl-CoA thioesterase FlK - T42S mutant in complex with Fluoro-acetate | Descriptor: | Fluoroacetyl coenzyme A thioesterase, fluoroacetic acid | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | Deposit date: | 2009-11-27 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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3KV7
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![BU of 3kv7 by Molmil](/molmil-images/mine/3kv7) | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - wild type FlK in complex with acetate | Descriptor: | ACETATE ION, fluoroacetyl-CoA thioesterase FlK | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | Deposit date: | 2009-11-29 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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3KVU
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![BU of 3kvu by Molmil](/molmil-images/mine/3kvu) | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - T42S mutant in complex with Acetyl-CoA | Descriptor: | ACETYL COENZYME *A, Fluoroacetyl-CoA thioesterase FlK | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | Deposit date: | 2009-11-30 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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3KUV
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![BU of 3kuv by Molmil](/molmil-images/mine/3kuv) | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - T42S mutant in complex with acetate. | Descriptor: | ACETATE ION, Fluoroacetyl coenzyme A thioesterase | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | Deposit date: | 2009-11-27 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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3N76
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![BU of 3n76 by Molmil](/molmil-images/mine/3n76) | Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with compound 5 | Descriptor: | (1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID, 3-dehydroquinate dehydratase | Authors: | Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L. | Deposit date: | 2010-05-26 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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3N86
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![BU of 3n86 by Molmil](/molmil-images/mine/3n86) | Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 4 | Descriptor: | (1R,5R)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-2-ene-1-carboxylic acid, 3-dehydroquinate dehydratase | Authors: | Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L. | Deposit date: | 2010-05-27 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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3N87
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![BU of 3n87 by Molmil](/molmil-images/mine/3n87) | Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 3 | Descriptor: | (1R,4R,5R)-1,4,5-trihydroxy-3-[3-(phenylcarbonyl)phenyl]cyclohex-2-ene-1-carboxylic acid, 3-dehydroquinate dehydratase | Authors: | Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L. | Deposit date: | 2010-05-27 | Release date: | 2011-05-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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3KVZ
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![BU of 3kvz by Molmil](/molmil-images/mine/3kvz) | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thiesterase FlK - wild type FlK in complex with FAcCPan | Descriptor: | (2R)-N-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide, Fluoroacetyl-CoA thioesterase FlK | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | Deposit date: | 2009-11-30 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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3N7A
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![BU of 3n7a by Molmil](/molmil-images/mine/3n7a) | Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 2 | Descriptor: | 2,3 -ANHYDRO-QUINIC ACID, 3-dehydroquinate dehydratase, GLYCEROL | Authors: | Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L. | Deposit date: | 2010-05-26 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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3N8N
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![BU of 3n8n by Molmil](/molmil-images/mine/3n8n) | Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 6 | Descriptor: | (1R,4R,5R)-3-(tert-butylcarbamoyl)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid, 3-dehydroquinate dehydratase | Authors: | Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L. | Deposit date: | 2010-05-28 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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8G6P
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![BU of 8g6p by Molmil](/molmil-images/mine/8g6p) | Crystal structure of Mycobacterium thermoresistibile MurE in complex with ADP and 2,6-Diaminopimelic acid | Descriptor: | 2,6-DIAMINOPIMELIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Rossini, N.O, Silva, C.S, Dias, M.V.B. | Deposit date: | 2023-02-15 | Release date: | 2023-04-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The crystal structure of Mycobacterium thermoresistibile MurE ligase reveals the binding mode of the substrate m-diaminopimelate. J.Struct.Biol., 215, 2023
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3BAF
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![BU of 3baf by Molmil](/molmil-images/mine/3baf) | Crystal structure of shikimate kinase from Mycobacterium tuberculosis in complex with AMP-PNP | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Shikimate kinase | Authors: | Faim, L.M, Dias, M.V.B, Vasconcelos, I.G, Basso, L.A, Santos, D.S, Azevedo, W.F, Ruggiero, N.J. | Deposit date: | 2007-11-07 | Release date: | 2008-11-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structure for shikimate kinase from Mycobacterium tuberculosis in complex with AMP-PNP To be Published
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7SFP
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![BU of 7sfp by Molmil](/molmil-images/mine/7sfp) | |
7RU7
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![BU of 7ru7 by Molmil](/molmil-images/mine/7ru7) | Crystal structure of BtrK, a decarboxylase involved in butirosin biosynthesis | Descriptor: | DI(HYDROXYETHYL)ETHER, L-glutamyl-[BtrI acyl-carrier protein] decarboxylase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Arenas, L.A.R, Paiva, F.C.R, Huang, F, Leadlay, P, Dias, M.V.B. | Deposit date: | 2021-08-16 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of BtrK, a decarboxylase involved in the (S)-4-amino-2-hydroxybutyrate (AHBA) formation during butirosin biosynthesis J.Mol.Struct., 1267, 2022
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7SFN
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![BU of 7sfn by Molmil](/molmil-images/mine/7sfn) | |
2CCL
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![BU of 2ccl by Molmil](/molmil-images/mine/2ccl) | THE S45A, T46A MUTANT OF THE TYPE I COHESIN-DOCKERIN COMPLEX FROM THE CELLULOSOME OF CLOSTRIDIUM THERMOCELLUM | Descriptor: | CALCIUM ION, CELLULOSOMAL SCAFFOLDING PROTEIN A, ENDO-1,4-BETA-XYLANASE Y, ... | Authors: | Carvalho, A.L, Dias, F.M.V, Prates, J.A.M, Ferreira, L.M.A, Gilbert, H.J, Davies, G.J, Romao, M.J, Fontes, C.M.G.A. | Deposit date: | 2006-01-16 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Evidence for a Dual Binding Mode of Dockerin Modules to Cohesins. Proc.Natl.Acad.Sci.USA, 104, 2007
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6UNW
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![BU of 6unw by Molmil](/molmil-images/mine/6unw) | Epoxide hydrolase from an endophytic Streptomyces | Descriptor: | CACODYLATE ION, CHLORIDE ION, Soluble epoxide hydrolase | Authors: | Wilson, C, dos Santos, J.C, Dias, M.V.B. | Deposit date: | 2019-10-13 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | An epoxide hydrolase from endophytic Streptomyces shows unique structural features and wide biocatalytic activity. Acta Crystallogr D Struct Biol, 76, 2020
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8A0Z
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![BU of 8a0z by Molmil](/molmil-images/mine/8a0z) | |
7ZZX
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![BU of 7zzx by Molmil](/molmil-images/mine/7zzx) | |
8A0N
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1PF7
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![BU of 1pf7 by Molmil](/molmil-images/mine/1pf7) | CRYSTAL STRUCTURE OF HUMAN PNP COMPLEXED WITH IMMUCILLIN H | Descriptor: | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION | Authors: | De Azevedo Jr, W.F, Canduri, F, Dos Santos, D.M, Pereira, J.H, Dias, M.V.B, Silva, R.G, Mendes, M.A, Palma, M.S, Basso, L.A, Santos, D.S. | Deposit date: | 2003-05-24 | Release date: | 2004-06-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for inhibition of human PNP by immucillin-H Biochem.Biophys.Res.Commun., 309, 2003
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1OHZ
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![BU of 1ohz by Molmil](/molmil-images/mine/1ohz) | Cohesin-Dockerin complex from the cellulosome of Clostridium thermocellum | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CELLULOSOMAL SCAFFOLDING PROTEIN A, ... | Authors: | Carvalho, A.L, Dias, F.M.V, Prates, J.A.M, Ferreira, L.M.A, Gilbert, H.J, Davies, G.J, Romao, M.J, Fontes, C.M.G.A. | Deposit date: | 2003-06-04 | Release date: | 2003-11-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cellulosome Assembly Revealed by the Crystal Structure of the Cohesin-Dockerin Complex Proc.Natl.Acad.Sci.USA, 100, 2003
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6D5A
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![BU of 6d5a by Molmil](/molmil-images/mine/6d5a) | |
1V2H
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![BU of 1v2h by Molmil](/molmil-images/mine/1v2h) | Crystal structure of human PNP complexed with guanine | Descriptor: | GUANINE, Purine nucleoside phosphorylase, SULFATE ION | Authors: | De Azevedo Jr, W.F, Canduri, F, Pereira, J.H, Dos Santos, D.M, Bertacine Dias, M.V, Silva, R.G, Palma, M.S, Basso, L.A, Santos, D.S. | Deposit date: | 2003-10-16 | Release date: | 2004-01-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of human PNP complexed with guanine. Biochem.Biophys.Res.Commun., 312, 2003
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1WE2
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![BU of 1we2 by Molmil](/molmil-images/mine/1we2) | Crystal structure of shikimate kinase from mycobacterium tuberculosis in complex with MGADP and shikimic acid | Descriptor: | 3-DEHYDROSHIKIMATE, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Pereira, J.H, de Oliveira, J.S, Canduri, F, Dias, M.V, Palma, M.S, Basso, L.A, Santos, D.S, de Azevedo Jr, W.F. | Deposit date: | 2004-05-22 | Release date: | 2005-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of shikimate kinase from Mycobacterium tuberculosis reveals the binding of shikimic acid. Acta Crystallogr.,Sect.D, 60, 2004
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