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 | 分子名称: | ACETATE ION, fluoroacetyl-CoA thioesterase FlK | 著者 | 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. | 登録日 | 2009-11-29 | 公開日 | 2010-04-21 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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3KVI
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![BU of 3kvi by Molmil](/molmil-images/mine/3kvi) | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - T42A mutant in complex with fluoro-acetate | 分子名称: | Fluoroacetyl-CoA thioesterase FlK, fluoroacetic acid | 著者 | 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. | 登録日 | 2009-11-30 | 公開日 | 2010-04-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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3KW1
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![BU of 3kw1 by Molmil](/molmil-images/mine/3kw1) | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - Wild type FlK in complex with FAcOPan | 分子名称: | 2-({N-[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl fluoroacetate, Fluoroacetyl-CoA thioesterase | 著者 | 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. | 登録日 | 2009-11-30 | 公開日 | 2010-04-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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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 | 分子名称: | (2R)-N-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide, Fluoroacetyl-CoA thioesterase FlK | 著者 | 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. | 登録日 | 2009-11-30 | 公開日 | 2010-04-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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3KX7
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![BU of 3kx7 by Molmil](/molmil-images/mine/3kx7) | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - apo wild type FlK | 分子名称: | Fluoroacetyl-CoA thioesterase FlK | 著者 | 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. | 登録日 | 2009-12-02 | 公開日 | 2010-04-21 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | 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 | 分子名称: | ACETYL COENZYME *A, Fluoroacetyl-CoA thioesterase FlK | 著者 | 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. | 登録日 | 2009-11-30 | 公開日 | 2010-04-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 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. | 分子名称: | ACETATE ION, Fluoroacetyl coenzyme A thioesterase | 著者 | 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. | 登録日 | 2009-11-27 | 公開日 | 2010-04-21 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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3KV8
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![BU of 3kv8 by Molmil](/molmil-images/mine/3kv8) | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - Wild type FlK in complex with fluoro-acetate | 分子名称: | Fluoroacetyl-CoA thioesterase FlK, fluoroacetic acid | 著者 | 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. | 登録日 | 2009-11-29 | 公開日 | 2010-04-21 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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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 | 分子名称: | (1R,5R)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-2-ene-1-carboxylic acid, 3-dehydroquinate dehydratase | 著者 | 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. | 登録日 | 2010-05-27 | 公開日 | 2011-05-11 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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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 | 分子名称: | (1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID, 3-dehydroquinate dehydratase | 著者 | 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. | 登録日 | 2010-05-26 | 公開日 | 2011-05-11 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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7SFN
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![BU of 7sfn by Molmil](/molmil-images/mine/7sfn) | |
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 | 分子名称: | 2,6-DIAMINOPIMELIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | 著者 | Rossini, N.O, Silva, C.S, Dias, M.V.B. | 登録日 | 2023-02-15 | 公開日 | 2023-04-05 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | 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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6WUQ
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![BU of 6wuq by Molmil](/molmil-images/mine/6wuq) | Crystal structure of AjiA1 in apo form | 分子名称: | AjiA1, MAGNESIUM ION, ZINC ION | 著者 | Paiva, F.C.R, Chan, K, Leadlay, P, Dias, M.V.B. | 登録日 | 2020-05-05 | 公開日 | 2020-12-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.003 Å) | 主引用文献 | The crystal structure of AjiA1 reveals a novel structural motion mechanism in the adenylate-forming enzyme family Acta Crystallogr.,Sect.D, 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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![BU of 8a0n by Molmil](/molmil-images/mine/8a0n) | |
6N3Z
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![BU of 6n3z by Molmil](/molmil-images/mine/6n3z) | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 4 | 分子名称: | Epoxide hydrolase TrEH, N-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide | 著者 | de Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | 登録日 | 2018-11-16 | 公開日 | 2019-11-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.238 Å) | 主引用文献 | The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors. Int. J. Biol. Macromol., 129, 2019
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6N5F
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![BU of 6n5f by Molmil](/molmil-images/mine/6n5f) | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 3 | 分子名称: | Epoxide hydrolase TrEH, N-(8-amino-8-oxooctyl)nonanamide | 著者 | Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | 登録日 | 2018-11-21 | 公開日 | 2019-11-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors. Int. J. Biol. Macromol., 129, 2019
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6N5G
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![BU of 6n5g by Molmil](/molmil-images/mine/6n5g) | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 2 | 分子名称: | 4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide, Epoxide hydrolase TrEH | 著者 | Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | 登録日 | 2018-11-21 | 公開日 | 2019-11-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors. Int. J. Biol. Macromol., 129, 2019
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6VS8
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![BU of 6vs8 by Molmil](/molmil-images/mine/6vs8) | |
6VSF
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![BU of 6vsf by Molmil](/molmil-images/mine/6vsf) | Mycobacterium tuberculosis dihydrofolate reductase in complex with 4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-4-oxobutanoic acid(fragment 16) | 分子名称: | 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid, COBALT (II) ION, Dihydrofolate reductase, ... | 著者 | Ribeiro, J.A, Dias, M.V.B. | 登録日 | 2020-02-11 | 公開日 | 2020-07-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.012 Å) | 主引用文献 | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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6VS6
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![BU of 6vs6 by Molmil](/molmil-images/mine/6vs6) | |
6VV6
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![BU of 6vv6 by Molmil](/molmil-images/mine/6vv6) | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB113 | 分子名称: | 1-(4-fluorophenyl)-5-[3-(1H-indol-3-yl)propoxy]-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | 著者 | Ribeiro, J.A, Dias, M.V.B, Chaves-Pacheco, S.M. | 登録日 | 2020-02-17 | 公開日 | 2020-07-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.235 Å) | 主引用文献 | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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3N8K
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![BU of 3n8k by Molmil](/molmil-images/mine/3n8k) | Type II dehydroquinase from Mycobacterium tuberculosis complexed with citrazinic acid | 分子名称: | 2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION | 著者 | Snee, W.C, Palaninathan, S.K, Sacchettini, J.C, Dias, M.V.B, Bromfield, K.M, Payne, R, Ciulli, A, Howard, N.I, Abell, C, Blundell, T.L, TB Structural Genomics Consortium (TBSGC) | 登録日 | 2010-05-28 | 公開日 | 2010-07-21 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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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 | 分子名称: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Shikimate kinase | 著者 | Faim, L.M, Dias, M.V.B, Vasconcelos, I.G, Basso, L.A, Santos, D.S, Azevedo, W.F, Ruggiero, N.J. | 登録日 | 2007-11-07 | 公開日 | 2008-11-11 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Crystal Structure for shikimate kinase from Mycobacterium tuberculosis in complex with AMP-PNP To be Published
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