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6N95
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BU of 6n95 by Molmil
Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-CoA
Descriptor: (2R)-sulfonatepropionyl-CoA, (2S)-sulfonatepropionyl-CoA, DI(HYDROXYETHYL)ETHER, ...
Authors:Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R.
Deposit date:2018-11-30
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
J. Am. Chem. Soc., 141, 2019
6N93
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BU of 6n93 by Molmil
Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-oxa(dethia)-CoA
Descriptor: (2E)-2-(hydroxyimino)propanoic acid, IMIDAZOLE, Methylmalonyl-CoA decarboxylase, ...
Authors:Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R.
Deposit date:2018-11-30
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
J. Am. Chem. Soc., 141, 2019
6N92
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BU of 6n92 by Molmil
Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-CoA
Descriptor: (2E)-2-(hydroxyimino)propanoic acid, IMIDAZOLE, Methylmalonyl-CoA decarboxylase, ...
Authors:Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R.
Deposit date:2018-11-30
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
J. Am. Chem. Soc., 141, 2019
6N97
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BU of 6n97 by Molmil
Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-amino(dethia)-CoA
Descriptor: (2R)-sulfonatepropionyl-amino(dethia)-CoA, (2S)-sulfonatepropionyl-amino(dethia)-CoA, IMIDAZOLE, ...
Authors:Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R.
Deposit date:2018-11-30
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
J. Am. Chem. Soc., 141, 2019
6N94
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BU of 6n94 by Molmil
Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-amino(dethia)-CoA
Descriptor: DI(HYDROXYETHYL)ETHER, IMIDAZOLE, Methylmalonyl-CoA decarboxylase, ...
Authors:Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R.
Deposit date:2018-11-30
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
J. Am. Chem. Soc., 141, 2019
6DGN
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BU of 6dgn by Molmil
Cronobacter turicensis BDSF synthase RpfF in complex with the RpfR quorum-sensing receptor FI domain
Descriptor: GLYCEROL, PHOSPHATE ION, RpfF, ...
Authors:Waldron, E.J, Neiditch, M.B.
Deposit date:2018-05-17
Release date:2019-01-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Structural basis of DSF recognition by its receptor RpfR and its regulatory interaction with the DSF synthase RpfF.
PLoS Biol., 17, 2019
6IUN
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BU of 6iun by Molmil
Crystal structure of enoyl-CoA hydratase (ECH) from Ralstonia eutropha H16 in complex with NAD
Descriptor: Enoyl-CoA hydratase/Delta(3)-cis-delta(2)-trans-enoyl-CoA isomerase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Son, H.F, Kim, K.J.
Deposit date:2018-11-29
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Crystal structure of enoyl-CoA hydratase from Ralstonia eutropha H16
To Be Published
6IUM
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BU of 6ium by Molmil
Crystal structure of enoyl-CoA hydratase (ECH) from Ralstonia eutropha H16
Descriptor: Enoyl-CoA hydratase/Delta(3)-cis-delta(2)-trans-enoyl-CoA isomerase, GLYCEROL, PHOSPHATE ION
Authors:Son, H.F, Kim, K.J.
Deposit date:2018-11-29
Release date:2018-12-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of enoyl-CoA hydratase from Ralstonia eutropha H16
To Be Published
6EQO
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BU of 6eqo by Molmil
Tri-functional propionyl-CoA synthase of Erythrobacter sp. NAP1 with bound NADP+ and phosphomethylphosphonic acid adenylate ester
Descriptor: Acetyl-coenzyme A synthetase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Zarzycki, J, Bernhardsgruetter, I, Voegeli, B, Wagner, T, Engilberge, S, Girard, E, Shima, S, Erb, T.J.
Deposit date:2017-10-13
Release date:2018-10-24
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The multicatalytic compartment of propionyl-CoA synthase sequesters a toxic metabolite.
Nat. Chem. Biol., 14, 2018
6DV2
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BU of 6dv2 by Molmil
Crystal Structure of Human Mitochondrial Trifunctional Protein
Descriptor: Trifunctional enzyme subunit alpha, mitochondrial, Trifunctional enzyme subunit beta
Authors:Fu, Z, Xia, C, Battaile, K.P, Kim, J.P.
Deposit date:2018-06-22
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Crystal structure of human mitochondrial trifunctional protein, a fatty acid beta-oxidation metabolon.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5YLO
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BU of 5ylo by Molmil
Structural of Pseudomonas aeruginosa PA4980
Descriptor: GLYCEROL, Probable enoyl-CoA hydratase/isomerase
Authors:Liu, L, Li, T, Peng, C.T, Li, C.C, Xiao, Q.J, He, L.H, Wang, N.Y, Bao, R.
Deposit date:2017-10-18
Release date:2018-08-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural characterization of a Delta3, Delta2-enoyl-CoA isomerase from Pseudomonas aeruginosa: implications for its involvement in unsaturated fatty acid metabolism.
J.Biomol.Struct.Dyn., 37, 2019
5ZAI
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BU of 5zai by Molmil
Crystal structure of 3-Hydroxypropionyl-CoA dehydratase from Metallosphaera sedula
Descriptor: 1,2-ETHANEDIOL, 3-hydroxypropionyl-coenzyme A dehydratase, COENZYME A, ...
Authors:Lee, D, Kim, K.J.
Deposit date:2018-02-07
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Insight into Substrate Specificity of 3-Hydroxypropionyl-Coenzyme A Dehydratase from Metallosphaera sedula
Sci Rep, 8, 2018
5XZD
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BU of 5xzd by Molmil
Structure of acryloyl-CoA hydratase AcuH from Roseovarius nubinhibens ISM
Descriptor: ACETIC ACID, Enoyl-CoA hydratase
Authors:Zhang, Y.Z, Wang, P, Cao, H.Y.
Deposit date:2017-07-12
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Insight into the Acryloyl-CoA Hydration by AcuH for Acrylate Detoxification in Dimethylsulfoniopropionate-Catabolizing Bacteria
Front Microbiol, 8, 2017
5ZQZ
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BU of 5zqz by Molmil
Structure of human mitochondrial trifunctional protein, tetramer
Descriptor: Trifunctional enzyme subunit alpha, mitochondrial, Trifunctional enzyme subunit beta
Authors:Liang, K, Li, N, Dai, J, Wang, X, Liu, P, Chen, X, Wang, C, Gao, N, Xiao, J.
Deposit date:2018-04-20
Release date:2018-06-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM structure of human mitochondrial trifunctional protein
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5ZRV
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BU of 5zrv by Molmil
Structure of human mitochondrial trifunctional protein, octamer
Descriptor: Trifunctional enzyme subunit alpha, mitochondrial, Trifunctional enzyme subunit beta
Authors:Liang, K, Li, N, Dai, J, Wang, X, Liu, P, Chen, X, Wang, C, Gao, N, Xiao, J.
Deposit date:2018-04-25
Release date:2018-06-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (7.7 Å)
Cite:Cryo-EM structure of human mitochondrial trifunctional protein
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5O34
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BU of 5o34 by Molmil
ThnE from S.clavuligerus
Descriptor: Enoyl-CoA hydratase carB homologue
Authors:Valegard, K, Andersson, I.
Deposit date:2017-05-23
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure of ThnE from the thienamycin biosynthesis.
To Be Published
5Z7R
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BU of 5z7r by Molmil
Crystal structure of crotonase from Clostridium acetobutylicum
Descriptor: Short-chain-enoyl-CoA hydratase
Authors:Kim, E.-J, Kim, Y.-J, Kim, K.-J.
Deposit date:2018-01-30
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into substrate specificity of crotonase from the n-butanol producing bacterium Clostridium acetobutylicum.
Biochem. Biophys. Res. Commun., 451, 2014
6C7C
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BU of 6c7c by Molmil
Crystal structure of Enoyl-CoA hydratase, EchA3, from Mycobacterium ulcerans Agy99
Descriptor: Enoyl-CoA hydratase, EchA3
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-01-22
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Enoyl-CoA hydratase, EchA3, from Mycobacterium ulcerans Agy99
to be published
5WYD
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BU of 5wyd by Molmil
Structural of Pseudomonas aeruginosa DspI
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, ...
Authors:Liu, L, Peng, C, Li, T, Li, C, He, L, Song, Y, Zhu, Y, Shen, Y, Bao, R.
Deposit date:2017-01-12
Release date:2018-01-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structural and functional studies on Pseudomonas aeruginosa DspI: implications for its role in DSF biosynthesis.
Sci Rep, 8, 2018
5WYB
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BU of 5wyb by Molmil
Structure of Pseudomonas aeruginosa DspI
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, Probable enoyl-CoA hydratase/isomerase
Authors:Liu, L, Peng, C, Li, T, Li, C, He, L, Song, Y, Zhu, Y, Shen, Y, Bao, R.
Deposit date:2017-01-12
Release date:2018-01-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and functional studies on Pseudomonas aeruginosa DspI: implications for its role in DSF biosynthesis.
Sci Rep, 8, 2018
5OMO
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BU of 5omo by Molmil
CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE-1 (RPMFE1) COMPLEXED WITH WITH 3S-HYDROXY-DECANOYL-COA AND 3-KETO-DECANOYL-COA
Descriptor: (S)-3-HYDROXYDECANOYL-COA, 3-KETO-DECANOYL-COA, GLYCEROL, ...
Authors:Kasaragod, P, Kiema, T.-R, Schmitz, W, Hiltunen, J.K, Wierenga, R.K.
Deposit date:2017-08-01
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE 1 (RPMFE1) COMPLEXED WITH 3S-HYDROXY-DECANOYL-COA AND 3- KETO-DECANOYL-COA
Not Published
5KAH
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BU of 5kah by Molmil
Crystal structure of a dioxygenase in the Crotonase superfamily in P21, V425T mutant
Descriptor: (3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE
Authors:Li, K, Fielding, E.N, Condurso, H.L, Bruner, S.D.
Deposit date:2016-06-01
Release date:2017-06-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.779 Å)
Cite:Probing the structural basis of oxygen binding in a cofactor-independent dioxygenase.
Acta Crystallogr D Struct Biol, 73, 2017
5KAG
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BU of 5kag by Molmil
Crystal structure of a dioxygenase in the Crotonase superfamily in P21
Descriptor: (3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase, OXYGEN MOLECULE, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE
Authors:Li, K, Fielding, E.N, Condurso, H.L, Bruner, S.D.
Deposit date:2016-06-01
Release date:2017-06-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.456 Å)
Cite:Probing the structural basis of oxygen binding in a cofactor-independent dioxygenase.
Acta Crystallogr D Struct Biol, 73, 2017
5KAJ
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BU of 5kaj by Molmil
Crystal structure of a dioxygenase in the Crotonase superfamily in P21, A319C mutant
Descriptor: (3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[(~{E})-2-[3,5-bis(oxidanyl)phenyl]-1-oxidanyl-ethenyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
Authors:Li, K, Fielding, E.N, Condurso, H.L, Bruner, S.D.
Deposit date:2016-06-01
Release date:2017-06-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.681 Å)
Cite:Probing the structural basis of oxygen binding in a cofactor-independent dioxygenase.
Acta Crystallogr D Struct Biol, 73, 2017
5MGB
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BU of 5mgb by Molmil
Crystal Structure of Rat Peroxisomal Multifunctional enzyme Type-1 (RPMFE1) Complexed with Acetoacetyl-CoA and NAD
Descriptor: ACETOACETYL-COENZYME A, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Kasaragod, P, Kiema, T.-R, Schmitz, W, Hiltunen, J.K, Wierenga, R.K.
Deposit date:2016-11-21
Release date:2016-12-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural enzymology comparisons of multifunctional enzyme, type-1 (MFE1): the flexibility of its dehydrogenase part.
FEBS Open Bio, 7, 2017

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