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7O4V	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with oxidized nicotinamide adenine dinucleotide Descriptor: 3-hydroxyacyl-CoA dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative acyltransferase Rv0859, ... 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 (2.42 Å) Cite: Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis beta-oxidation trifunctional enzyme. J.Struct.Biol., 213, 2021
4B3J	Crystal structure of Mycobacterium tuberculosis fatty acid beta- oxidation complex with CoenzymeA bound at the hydratase and thiolase active sites Descriptor: ADENOSINE-5'-DIPHOSPHATE, COENZYME A, FATTY ACID BETA-OXIDATION COMPLEX ALPHA-CHAIN FADB, ... Authors: Venkatesan, R, Wierenga, R.K. Deposit date: 2012-07-24 Release date: 2013-03-27 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structure of Mycobacterial Beta-Oxidation Trifunctional Enzyme Reveals its Altered Assembly and Putative Substrate Channeling Pathway. Acs Chem.Biol., 8, 2013
4B3I	Crystal structure of Mycobacterium tuberculosis fatty acid beta- oxidation complex with CoenzymeA bound at the hydratase active sites Descriptor: ADENOSINE-5'-DIPHOSPHATE, COENZYME A, FATTY ACID BETA-OXIDATION COMPLEX ALPHA-CHAIN FADB, ... Authors: Venkatesan, R, Wierenga, R.K. Deposit date: 2012-07-24 Release date: 2013-03-27 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.63 Å) Cite: Structure of Mycobacterial Beta-Oxidation Trifunctional Enzyme Reveals its Altered Assembly and Putative Substrate Channeling Pathway. Acs Chem.Biol., 8, 2013
4B3H	Crystal structure of Mycobacterium tuberculosis fatty acid beta- oxidation complex Descriptor: FATTY ACID BETA-OXIDATION COMPLEX ALPHA-CHAIN FADB, FATTY ACID BETA-OXIDATION COMPLEX BETA-CHAIN FADA, GLYCEROL, ... Authors: Venkatesan, R, Wierenga, R. Deposit date: 2012-07-24 Release date: 2013-03-27 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structure of Mycobacterial Beta-Oxidation Trifunctional Enzyme Reveals its Altered Assembly and Putative Substrate Channeling Pathway. Acs Chem.Biol., 8, 2013
3M6M	Crystal structure of RpfF complexed with REC domain of RpfC Descriptor: 1,2-ETHANEDIOL, IODIDE ION, MAGNESIUM ION, ... Authors: Cheng, Z, Lim, S.C, Qamra, R, Song, H. Deposit date: 2010-03-16 Release date: 2010-09-22 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structural Basis of the Sensor-Synthase Interaction in Autoinduction of the Quorum Sensing Signal DSF Biosynthesis Structure, 18, 2010
8OQL	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-1 Descriptor: 3-hydroxyacyl-CoA dehydrogenase, FORMAMIDE, GLYCEROL, ... Authors: Dalwani, S, Wierenga, R.K, Venkatesan, R. Deposit date: 2023-04-12 Release date: 2024-01-24 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 Biorxiv, 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 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 Biorxiv, 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 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 Biorxiv, 2024
8OQM	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-10 Descriptor: 3-hydroxyacyl-CoA dehydrogenase, 6-azanyl-4-oxidanyl-naphthalene-2-sulfonic acid, GLYCEROL, ... Authors: Dalwani, S, Wierenga, R.K, Venkatesan, R. Deposit date: 2023-04-12 Release date: 2024-01-24 Method: X-RAY DIFFRACTION (3.2 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 Biorxiv, 2024
8OQN	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-53 Descriptor: 1-benzyl-1H-pyrazole-4-carboxylic acid, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ... Authors: Dalwani, S, Wierenga, R.K, Venkatesan, R. Deposit date: 2023-04-12 Release date: 2024-01-24 Method: X-RAY DIFFRACTION (2.2 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 Biorxiv, 2024
8OQO	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-49 Descriptor: 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ... Authors: Dalwani, S, Wierenga, R.K, Venkatesan, R. Deposit date: 2023-04-12 Release date: 2024-01-24 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 Biorxiv, 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 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 Biorxiv, 2024
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 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 Biorxiv, 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 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 Biorxiv, 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 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 Biorxiv, 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 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 Biorxiv, 2024
8OQP	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-76 Descriptor: 2-azanyl-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 Method: X-RAY DIFFRACTION (2.18 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 Biorxiv, 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 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 Biorxiv, 2024
8OPV	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Resveratrol (Fragment-B-H11) 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 Method: X-RAY DIFFRACTION (2.8 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 Biorxiv, 2024
8OQU	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-92 Descriptor: 3-hydroxyacyl-CoA dehydrogenase, 4-chloranylbenzenesulfonic acid, GLYCEROL, ... Authors: Dalwani, S, Wierenga, R.K, Venkatesan, R. Deposit date: 2023-04-12 Release date: 2024-01-24 Method: X-RAY DIFFRACTION (2.89 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 Biorxiv, 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 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 Biorxiv, 2024
8PF8	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-72 Descriptor: (2~{R})-3-bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boranyloxypropane-1,2-diol, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ... Authors: Dalwani, S, Wierenga, R.K, Venkatesan, R. Deposit date: 2023-06-15 Release date: 2024-01-24 Method: X-RAY DIFFRACTION (2.23 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 Biorxiv, 2024

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