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7O4R	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme with Coenzyme A bound at the thiolase active sites and additional binding site (CoA(HAD/KAT)) Descriptor: 3-hydroxyacyl-CoA dehydrogenase, COENZYME A, GLYCEROL, ... Authors: Dalwani, S, Wierenga, R.K, Venkatesan, R. Deposit date: 2021-04-07 Release date: 2021-08-25 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.79 Å) Cite: Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis beta-oxidation trifunctional enzyme. J.Struct.Biol., 213, 2021
7O4S	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme with Coenzyme A bound at the hydratase, thiolase active sites and additional binding site (CoA(ECH2)) Descriptor: 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, 3-hydroxyacyl-CoA dehydrogenase, ADENOSINE-5'-DIPHOSPHATE, ... Authors: Dalwani, S, Wierenga, R.K, Venkatesan, R. Deposit date: 2021-04-07 Release date: 2021-08-25 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.79 Å) Cite: Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis beta-oxidation trifunctional enzyme. J.Struct.Biol., 213, 2021
5XZ5	Purification,crystallization and structural analysis of cytoplastic acetoacetyl-CoA thiolase from Saccharomyces cerevisiae Descriptor: Acetyl-CoA acetyltransferase Authors: Zhou, P.F, Zhu, Z.L. Deposit date: 2017-07-11 Release date: 2018-07-11 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Purification,crystallization and structural analysis of cytoplastic acetoacetyl-CoA thiolase from Saccharomyces cerevisiae To Be Published
5ZQZ	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
6ARG	Aspergillus fumigatus Cytosolic Thiolase: Apo enzyme in complex with rubidium ions Descriptor: Acetyl-CoA acetyltransferase, CHLORIDE ION, GLYCEROL, ... Authors: Marshall, A.C, Bond, C.S, Bruning, J.B. Deposit date: 2017-08-22 Release date: 2018-05-30 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.782 Å) Cite: Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations Acs Catalysis, 8(3), 2018
6ARF	Aspergillus fumigatus Cytosolic Thiolase: Apo enzyme in complex with potassium ions Descriptor: Acetyl-CoA acetyltransferase, CHLORIDE ION, GLYCEROL, ... Authors: Marshall, A.C, Bond, C.S, Bruning, J.B. Deposit date: 2017-08-22 Release date: 2018-05-30 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.702 Å) Cite: Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations Acs Catalysis, 8(3), 2018
6ARR	Aspergillus fumigatus Cytosolic Thiolase: Apo enzyme in complex with cesium ions Descriptor: Acetyl-CoA acetyltransferase, CESIUM ION, CHLORIDE ION, ... Authors: Marshall, A.C, Bond, C.S, Bruning, J.B. Deposit date: 2017-08-23 Release date: 2018-05-30 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.822 Å) Cite: Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations Acs Catalysis, 8(3), 2018
6ART	Aspergillus fumigatus Cytosolic Thiolase: Apo enzyme in complex with cesium ions Descriptor: Acetyl-CoA acetyltransferase, CESIUM ION, CHLORIDE ION, ... Authors: Marshall, A.C, Bond, C.S, Bruning, J.B. Deposit date: 2017-08-23 Release date: 2018-05-30 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations Acs Catalysis, 8(3), 2018
6ARE	Aspergillus fumigatus Cytosolic Thiolase in complex with two tetrahedral reaction intermediates and ammonium ions Descriptor: ACETATE ION, ACETYL COENZYME *A, AMMONIUM ION, ... Authors: Marshall, A.C, Bond, C.S, Bruning, J.B. Deposit date: 2017-08-22 Release date: 2018-05-30 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations Acs Catalysis, 8(3), 2018
6ARL	Aspergillus fumigatus Cytosolic Thiolase: Apo enzyme in complex with rubidium ions Descriptor: Acetyl-CoA acetyltransferase, CHLORIDE ION, GLYCEROL, ... Authors: Marshall, A.C, Bond, C.S, Bruning, J.B. Deposit date: 2017-08-22 Release date: 2018-05-30 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations Acs Catalysis, 8(3), 2018
6AQP	Aspergillus fumigatus Cytosolic Thiolase: Acetylated enzyme in complex with CoA and potassium ions Descriptor: ACETYL COENZYME *A, Acetyl-CoA acetyltransferase, CHLORIDE ION, ... Authors: Marshall, A.C, Bond, C.S, Bruning, J.B. Deposit date: 2017-08-21 Release date: 2018-05-30 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations Acs Catalysis, 8(3), 2018
6BJ9	Crystal structure of Acat2 thiolase from Ascaris suum Descriptor: Acetyl-CoA acetyltransferase A, POTASSIUM ION Authors: Blaisse, M.R, Fu, B, Chang, M.C.Y. Deposit date: 2017-11-05 Release date: 2018-02-07 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.53014076 Å) Cite: Structural and Biochemical Studies of Substrate Selectivity in Ascaris suum Thiolases. Biochemistry, 57, 2018
6BJA	Crystal structure of Acat5 thiolase from Ascaris suum in complex with coenzyme A Descriptor: ACETATE ION, Acetyl-CoA acetyltransferase A, COENZYME A Authors: Blaisse, M.R, Fu, B, Chang, M.C.Y. Deposit date: 2017-11-05 Release date: 2018-02-07 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.60001445 Å) Cite: Structural and Biochemical Studies of Substrate Selectivity in Ascaris suum Thiolases. Biochemistry, 57, 2018
5ZRV	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
8OPX	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Trehalose (Fragment-B-TRE) Descriptor: 3-hydroxyacyl-CoA dehydrogenase, Putative acyltransferase Rv0859, SULFATE ION, ... Authors: Dalwani, S, Wierenga, R.K, Venkatesan, R. Deposit date: 2023-04-10 Release date: 2024-01-24 Last modified: 2024-07-24 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 2024
8OQO	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-49 Descriptor: GLYCEROL, Probable fatty oxidation protein FadB, Putative acyltransferase Rv0859, ... Authors: Dalwani, S, Wierenga, R.K, Venkatesan, R. Deposit date: 2023-04-12 Release date: 2024-01-24 Last modified: 2024-07-24 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 2024
8OQT	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-91 Descriptor: 3-hydroxyacyl-CoA dehydrogenase, 4-bromanylbenzenesulfonic acid, GLYCEROL, ... Authors: Dalwani, S, Wierenga, R.K, Venkatesan, R. Deposit date: 2023-04-12 Release date: 2024-01-24 Last modified: 2024-07-24 Method: X-RAY DIFFRACTION (2.62 Å) Cite: Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 2024
8OPU	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Sulfamethoxazole (Fragment-B-E1) Descriptor: 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ... Authors: Dalwani, S, Wierenga, R.K, Venkatesan, R. Deposit date: 2023-04-10 Release date: 2024-01-24 Last modified: 2024-07-24 Method: X-RAY DIFFRACTION (3.04 Å) Cite: Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 2024
8OQL	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-1 Descriptor: 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Hexafluorophosphate anion, ... Authors: Dalwani, S, Wierenga, R.K, Venkatesan, R. Deposit date: 2023-04-12 Release date: 2024-01-24 Last modified: 2024-07-24 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 2024
8OPW	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Caffeine (Fragment-B-51) Descriptor: 3-hydroxyacyl-CoA dehydrogenase, CAFFEINE, GLYCEROL, ... Authors: Dalwani, S, Wierenga, R.K, Venkatesan, R. Deposit date: 2023-04-10 Release date: 2024-01-24 Last modified: 2024-07-24 Method: X-RAY DIFFRACTION (2.52 Å) Cite: Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 2024
8OQQ	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-79 Descriptor: 2-fluoranyl-5-sulfo-benzoic acid, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ... Authors: Dalwani, S, Wierenga, R.K, Venkatesan, R. Deposit date: 2023-04-12 Release date: 2024-01-24 Last modified: 2024-07-24 Method: X-RAY DIFFRACTION (2.59 Å) Cite: Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 2024
8OPY	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-B-DNQ Descriptor: 3-hydroxyacyl-CoA dehydrogenase, 6,7-DINITROQUINOXALINE-2,3-DIONE, GLYCEROL, ... Authors: Dalwani, S, Wierenga, R.K, Venkatesan, R. Deposit date: 2023-04-10 Release date: 2024-01-24 Last modified: 2024-07-24 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 2024
8OQS	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-83 Descriptor: 3-hydroxyacyl-CoA dehydrogenase, 4-phenylbenzenesulfonic acid, GLYCEROL, ... Authors: Dalwani, S, Wierenga, R.K, Venkatesan, R. Deposit date: 2023-04-12 Release date: 2024-01-24 Last modified: 2024-07-24 Method: X-RAY DIFFRACTION (2.33 Å) Cite: Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 2024
8OQV	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-109 Descriptor: 3-hydroxyacyl-CoA dehydrogenase, 4-nitrobenzenesulfonic acid, GLYCEROL, ... Authors: Dalwani, S, Wierenga, R.K, Venkatesan, R. Deposit date: 2023-04-12 Release date: 2024-01-24 Last modified: 2024-07-24 Method: X-RAY DIFFRACTION (2.78 Å) Cite: Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 2024
8OQR	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-80 Descriptor: 3-hydroxyacyl-CoA dehydrogenase, 4-cyanobenzenesulfonic acid, GLYCEROL, ... Authors: Dalwani, S, Wierenga, R.K, Venkatesan, R. Deposit date: 2023-04-12 Release date: 2024-01-24 Last modified: 2024-07-24 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 2024

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