6D4K
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6D51
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![BU of 6d51 by Molmil](/molmil-images/mine/6d51) | Crystal structure of L,D-transpeptidase 3 from Mycobacterium tuberculosis in complex with a faropenem-derived adduct | Descriptor: | ACETYL GROUP, CALCIUM ION, Probable L,D-transpeptidase 3 | Authors: | Libreros, G.A, Dias, M.V.B. | Deposit date: | 2018-04-19 | Release date: | 2019-02-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural Basis for the Interaction and Processing of beta-Lactam Antibiotics by l,d-Transpeptidase 3 (LdtMt3) from Mycobacterium tuberculosis. ACS Infect Dis, 5, 2019
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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 | Descriptor: | Epoxide hydrolase TrEH, N-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide | Authors: | de Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | Deposit date: | 2018-11-16 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.238 Å) | Cite: | 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 | Descriptor: | Epoxide hydrolase TrEH, N-(8-amino-8-oxooctyl)nonanamide | Authors: | Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | Deposit date: | 2018-11-21 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | 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 | Descriptor: | 4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide, Epoxide hydrolase TrEH | Authors: | Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | Deposit date: | 2018-11-21 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 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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6N3K
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![BU of 6n3k by Molmil](/molmil-images/mine/6n3k) | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 1 | Descriptor: | Epoxide hydrolase, N-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-N'-(3-phenylpropyl)urea | Authors: | de Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | Deposit date: | 2018-11-15 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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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7KEM
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7LLE
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7LM0
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![BU of 7lm0 by Molmil](/molmil-images/mine/7lm0) | Crystal structure of GenB3 in complex with PLP | Descriptor: | C-6' aminotransferase, DI(HYDROXYETHYL)ETHER, PYRIDOXAL-5'-PHOSPHATE | Authors: | Bury, P.S, Huang, F, Leadlay, P.F, Dias, M.V.B. | Deposit date: | 2021-02-04 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal structure of GenB4 in complex with external aldimine of PLP-sisomicin Acs Catalysis, 2021
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7LLD
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![BU of 7lld by Molmil](/molmil-images/mine/7lld) | Crystal structure of GenB4 in complex with external aldimine of PLP-sisomicin | Descriptor: | (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-erythro-hexopyranoside, (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-beta-L-threo-hexopyranoside, C-6' aminotransferase, ... | Authors: | Bury, P.S, Huang, F, Leadlay, P.F, Dias, M.V.B. | Deposit date: | 2021-02-03 | Release date: | 2021-09-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of GenB4 in complex with external aldimine of PLP-sisomicin Acs Catalysis, 2021
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3KX8
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![BU of 3kx8 by Molmil](/molmil-images/mine/3kx8) | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK | Descriptor: | fluoroacetyl-CoA thioesterase | Authors: | Chirgadze, D.Y, Dias, M.V.B, Huang, F, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | Deposit date: | 2009-12-02 | Release date: | 2010-04-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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3N59
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![BU of 3n59 by Molmil](/molmil-images/mine/3n59) | Type II dehydroquinase from Mycobacterium Tuberculosis complexed with 3-dehydroshikimate | Descriptor: | (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION | Authors: | 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) | Deposit date: | 2010-05-24 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.52 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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3N8K
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![BU of 3n8k by Molmil](/molmil-images/mine/3n8k) | Type II dehydroquinase from Mycobacterium tuberculosis complexed with citrazinic acid | Descriptor: | 2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION | Authors: | 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) | Deposit date: | 2010-05-28 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 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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6VPD
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![BU of 6vpd by Molmil](/molmil-images/mine/6vpd) | Crystal structure of Trgpx in apo form | Descriptor: | Glutathione peroxidase | Authors: | Adriani, P.P, De Oliveira, G.S, Paiva, F.C.R, Dias, M.V.B, Chambergo, F.S. | Deposit date: | 2020-02-03 | Release date: | 2020-12-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Structural and functional characterization of the glutathione peroxidase-like thioredoxin peroxidase from the fungus Trichoderma reesei. Int.J.Biol.Macromol., 167, 2020
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6VS9
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6VV7
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![BU of 6vv7 by Molmil](/molmil-images/mine/6vv7) | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB136 | Descriptor: | 5-[3-(5-methyl-1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Dias, M.V.B, Chavez-Pacheco, S.M. | Deposit date: | 2020-02-17 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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6N5H
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![BU of 6n5h by Molmil](/molmil-images/mine/6n5h) | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 5 | Descriptor: | 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid, Epoxide hydrolase TrEH | Authors: | Oliveira, G.S, Adriano, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | Deposit date: | 2018-11-21 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.717 Å) | Cite: | 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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6NNC
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![BU of 6nnc by Molmil](/molmil-images/mine/6nnc) | Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and pemetrexed | Descriptor: | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | Deposit date: | 2019-01-14 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates. Acta Crystallogr D Struct Biol, 75, 2019
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6NNW
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![BU of 6nnw by Molmil](/molmil-images/mine/6nnw) | Tsn15 in complex with substrate intermediate | Descriptor: | (3E)-3-{(1S,4S,4aS,5R,8aS)-1-[(2E,4R,7S,8E,10S)-1,7-dihydroxy-10-{(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl}-4-methylundeca-2,8-dien-2-yl]-4,5-dimethyloctahydro-3H-2-benzopyran-3-ylidene}oxolane-2,4-dione, PHOSPHATE ION, PROPANOIC ACID, ... | Authors: | Paiva, F.C.R, Little, R, Leadlay, P, Dias, M.V.B. | Deposit date: | 2019-01-15 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Unexpected enzyme-catalysed [4+2] cycloaddition and rearrangement in polyether antibiotic biosynthesis Nat Catal, 2019
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6NOI
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![BU of 6noi by Molmil](/molmil-images/mine/6noi) | Crystal structure of Tsn15 in apo form | Descriptor: | DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, TRIETHYLENE GLYCOL, ... | Authors: | Little, R, Paiva, F.C.R, Dias, M.V.B, Leadlay, P. | Deposit date: | 2019-01-16 | Release date: | 2019-10-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Unexpected enzyme-catalysed [4+2] cycloaddition and rearrangement in polyether antibiotic biosynthesis Nat Catal, 2019
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6NNH
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![BU of 6nnh by Molmil](/molmil-images/mine/6nnh) | Structure of Closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and cycloguanil | Descriptor: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Giudice, J.H.P, Ribeiro, J.A, Dias, M.V.B. | Deposit date: | 2019-01-15 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.523 Å) | Cite: | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates. Acta Crystallogr D Struct Biol, 75, 2019
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6VSE
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6VV8
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![BU of 6vv8 by Molmil](/molmil-images/mine/6vv8) | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB285 | Descriptor: | 5-{[3-(1H-indol-3-yl)propanoyl]amino}-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | Deposit date: | 2020-02-17 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.683 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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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 | Descriptor: | AjiA1, MAGNESIUM ION, ZINC ION | Authors: | Paiva, F.C.R, Chan, K, Leadlay, P, Dias, M.V.B. | Deposit date: | 2020-05-05 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | 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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6VS5
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![BU of 6vs5 by Molmil](/molmil-images/mine/6vs5) | Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid (fragment 1) | Descriptor: | 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Tyrakis, P, Blundell, T, Dias, M.V.B. | Deposit date: | 2020-02-10 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.758 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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