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PDB: 238 results

7O4U
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BU of 7o4u by Molmil
Structure of the alpha subunit of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with oxidized nicotinamide adenine dinucleotide
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
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 (2.7 Å)
Cite:Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis beta-oxidation trifunctional enzyme.
J.Struct.Biol., 213, 2021
4NAE
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BU of 4nae by Molmil
PcrB from Geobacillus kaustophilus, with bound G1P
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Heptaprenylglyceryl phosphate synthase, SN-GLYCEROL-1-PHOSPHATE
Authors:Peterhoff, D, Beer, B, Rajendran, C, Kumpula, E.P, Kapetaniou, E, Guldan, H, Wierenga, R.K, Sterner, R, Babinger, P.
Deposit date:2013-10-22
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:A comprehensive analysis of the geranylgeranylglyceryl phosphate synthase enzyme family identifies novel members and reveals mechanisms of substrate specificity and quaternary structure organization.
Mol.Microbiol., 92, 2014
4NAF
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BU of 4naf by Molmil
PrcB from Geobacillus kaustophilus, apo structure
Descriptor: Heptaprenylglyceryl phosphate synthase
Authors:Peterhoff, D, Beer, B, Rajendran, C, Kumpula, E.P, Kapetaniou, E, Guldan, H, Wierenga, R.K, Sterner, R, Babinger, P.
Deposit date:2013-10-22
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A comprehensive analysis of the geranylgeranylglyceryl phosphate synthase enzyme family identifies novel members and reveals mechanisms of substrate specificity and quaternary structure organization.
Mol.Microbiol., 92, 2014
1WL4
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BU of 1wl4 by Molmil
Human cytosolic acetoacetyl-CoA thiolase complexed with CoA
Descriptor: COENZYME A, GLYCEROL, SULFATE ION, ...
Authors:Kursula, P, Fukao, T, Kondo, N, Wierenga, R.K.
Deposit date:2004-06-20
Release date:2005-03-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:High Resolution Crystal Structures of Human Cytosolic Thiolase (CT): A Comparison of the Active Sites of Human CT, Bacterial Thiolase, and Bacterial KAS I
J.Mol.Biol., 347, 2005
2J27
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BU of 2j27 by Molmil
The functional role of the conserved active site proline of triosephosphate isomerase.
Descriptor: 2-PHOSPHOGLYCOLIC ACID, SULFATE ION, TRIOSEPHOSPHATE ISOMERASE GLYCOSOMAL
Authors:Casteleijn, M.G, Alahuhta, M, Groebel, K, El-Sayed, I, Augustyns, K, Lambeir, A.M, Neubauer, P, Wierenga, R.K.
Deposit date:2006-08-16
Release date:2007-01-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Functional Role of the Conserved Active Site Proline of Triosephosphate Isomerase.
Biochemistry, 45, 2006
1WL5
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Human cytosolic acetoacetyl-CoA thiolase
Descriptor: GLYCEROL, SULFATE ION, acetyl-Coenzyme A acetyltransferase 2
Authors:Kursula, P, Fukao, T, Kondo, N, Wierenga, R.K.
Deposit date:2004-06-20
Release date:2005-03-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:High Resolution Crystal Structures of Human Cytosolic Thiolase (CT): A Comparison of the Active Sites of Human CT, Bacterial Thiolase, and Bacterial KAS I
J.Mol.Biol., 347, 2005
1AMK
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BU of 1amk by Molmil
LEISHMANIA MEXICANA TRIOSE PHOSPHATE ISOMERASE
Descriptor: 2-PHOSPHOGLYCOLIC ACID, TRIOSE PHOSPHATE ISOMERASE
Authors:Williams, J.C, Wierenga, R.
Deposit date:1997-06-17
Release date:1997-12-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural and mutagenesis studies of leishmania triosephosphate isomerase: a point mutation can convert a mesophilic enzyme into a superstable enzyme without losing catalytic power.
Protein Eng., 12, 1999
1E15
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BU of 1e15 by Molmil
Chitinase B from Serratia Marcescens
Descriptor: CHITINASE B
Authors:Van Aalten, D.M.F, Synstad, B, Brurberg, M.B, Hough, E, Riise, B.W, Eijsink, V.G.H, Wierenga, R.K.
Deposit date:2000-04-18
Release date:2000-08-18
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a Two-Domain Chitotriosidase from Serratia Marcescens at 1.9 Angstrom Resoltuion
Proc.Natl.Acad.Sci.USA, 97, 2000
1X74
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BU of 1x74 by Molmil
Alpha-methylacyl-CoA racemase from Mycobacterium tuberculosis- mutational and structural characterization of the fold and active site
Descriptor: 2-methylacyl-CoA racemase, GLYCEROL, PHOSPHATE ION
Authors:Kalle, S, Bhaumik, P, Schmitz, W, Kotti, T.J, Conzelmann, E, Wierenga, R.K, Hiltunen, J.K.
Deposit date:2004-08-13
Release date:2005-01-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:{alpha}-Methylacyl-CoA Racemase from Mycobacterium tuberculosis: MUTATIONAL AND STRUCTURAL CHARACTERIZATION OF THE ACTIVE SITE AND THE FOLD
J.Biol.Chem., 280, 2005
5AB7
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BU of 5ab7 by Molmil
Crystal structure of Trypanosoma brucei SCP2-thiolase like protein (TbSLP) in complex with malonyl-CoA.
Descriptor: MALONYL-COENZYME A, SCP2-THIOLASE LIKE PROTEIN, SULFATE ION
Authors:Harijan, R.K, Kiema, T.R, Wierenga, R.K.
Deposit date:2015-08-02
Release date:2016-05-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Scp2-Thiolase-Like Protein (Slp) of Trypanosoma Brucei is an Enzyme Involved in Lipid Metabolism.
Proteins, 84, 2016
5AB6
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BU of 5ab6 by Molmil
Crystal structure of Trypanosoma brucei SCP2-thiolase like protein (TbSLP) in complex with acetoacetyl-CoA.
Descriptor: ACETOACETYL-COENZYME A, SCP2-THIOLASE LIKE PROTEIN, SULFATE ION
Authors:Harijan, R.K, Kiema, T.R, Wierenga, R.K.
Deposit date:2015-08-01
Release date:2016-05-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Scp2-Thiolase-Like Protein (Slp) of Trypanosoma Brucei is an Enzyme Involved in Lipid Metabolism.
Proteins, 84, 2016
1MSS
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BU of 1mss by Molmil
LARGE SCALE STRUCTURAL REARRANGEMENTS OF THE FRONT LOOPS IN MONOMERISED TRIOSEPHOSPHATE ISOMERASE, AS DEDUCED FROM THE COMPARISON OF THE STRUCTURAL PROPERTIES OF MONOTIM AND ITS POINT MUTATION VARIANT MONOSS
Descriptor: TRIOSEPHOSPHATE ISOMERASE
Authors:Radha Kishan, K.V, Wierenga, R.K.
Deposit date:1994-07-27
Release date:1994-09-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Three new crystal structures of point mutation variants of monoTIM: conformational flexibility of loop-1, loop-4 and loop-8.
Structure, 3, 1995
1TTI
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BU of 1tti by Molmil
THREE NEW CRYSTAL STRUCTURES OF POINT MUTATION VARIANTS OF MONOTIM: CONFORMATIONAL FLEXIBILITY OF LOOP-1,LOOP-4 AND LOOP-8
Descriptor: 2-PHOSPHOGLYCOLIC ACID, TRIOSEPHOSPHATE ISOMERASE
Authors:Radha Kishan, K.V, Wierenga, R.K.
Deposit date:1995-04-19
Release date:1995-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Three new crystal structures of point mutation variants of monoTIM: conformational flexibility of loop-1, loop-4 and loop-8.
Structure, 3, 1995
8OPX
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BU of 8opx by Molmil
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
8OQO
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BU of 8oqo by Molmil
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
8OQT
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BU of 8oqt by Molmil
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
8OPU
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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
8OPW
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BU of 8opw by Molmil
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
8OPY
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BU of 8opy by Molmil
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
8OQL
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BU of 8oql by Molmil
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
8OQS
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BU of 8oqs by Molmil
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
8OQV
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BU of 8oqv by Molmil
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
8OQQ
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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
8OQR
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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
8OQN
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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

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