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PDB: 238 results

8OQU
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BU of 8oqu by Molmil
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
4ZDC
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BU of 4zdc by Molmil
Yeast enoyl-CoA isomerase complexed with octanoyl-CoA
Descriptor: 3,2-trans-enoyl-CoA isomerase, GLYCEROL, OCTANOYL-COENZYME A, ...
Authors:Onwukwe, G.U, Koski, M.K, Wierenga, R.K.
Deposit date:2015-04-17
Release date:2015-11-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structures of yeast peroxisomal Delta (3), Delta (2)-enoyl-CoA isomerase complexed with acyl-CoA substrate analogues: the importance of hydrogen-bond networks for the reactivity of the catalytic base and the oxyanion hole.
Acta Crystallogr.,Sect.D, 71, 2015
1M1T
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BU of 1m1t by Molmil
Biosynthetic thiolase, Q64A mutant
Descriptor: Acetyl-CoA acetyltransferase, GLYCEROL, SULFATE ION
Authors:Kursula, P, Ojala, J, Lambeir, A.-M, Wierenga, R.K.
Deposit date:2002-06-20
Release date:2002-11-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:The catalytic cycle of biosynthetic thiolase: A conformational journey of an acetyl group through four binding modes and two oxyanion holes
Biochemistry, 41, 2002
1M4S
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BU of 1m4s by Molmil
Biosynthetic thiolase, Cys89 acetylated, unliganded form
Descriptor: Acetyl-CoA acetyltransferase, GLYCEROL, SULFATE ION
Authors:Kursula, P, Ojala, J, Lambeir, A.-M, Wierenga, R.K.
Deposit date:2002-07-03
Release date:2002-11-29
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:The catalytic cycle of biosynthetic thiolase: A conformational journey of an acetyl group through four binding modes and two oxyanion holes
Biochemistry, 41, 2002
1K39
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BU of 1k39 by Molmil
The structure of yeast delta3-delta2-enoyl-COA isomerase complexed with octanoyl-COA
Descriptor: OCTANOYL-COENZYME A, PHOSPHATE ION, d3,d2-enoyl CoA isomerase ECI1
Authors:Mursula, A.M, Geerlof, A, Hiltunen, J.K, Wierenga, R.K.
Deposit date:2001-10-02
Release date:2003-08-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:

2GD0
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BU of 2gd0 by Molmil
The 1,1-proton transfer reaction mechanism by alpha-methylacyl-CoA racemase is catalyzed by an aspartate/histidine pair and involves a smooth, methionine-rich surface for binding the fatty acyl moiety
Descriptor: (S)-2-METHYLMYRISTOYL-COENZYME A, GLYCEROL, probable alpha-methylacyl-CoA racemase MCR
Authors:Bhaumik, P, Wierenga, R.K.
Deposit date:2006-03-15
Release date:2007-02-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Catalysis of the 1,1-Proton Transfer by alpha-Methyl-acyl-CoA Racemase Is Coupled to a Movement of the Fatty Acyl Moiety Over a Hydrophobic, Methionine-rich Surface
J.Mol.Biol., 367, 2007
2GD6
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BU of 2gd6 by Molmil
The 1,1-proton transfer reaction mechanism by alpha-methylacyl-CoA racemase is catalyzed by an aspartate/histidine pair and involves a smooth, methionine-rich surface for binding the fatty acyl moiety
Descriptor: ACETYL COENZYME *A, GLYCEROL, probable alpha-methylacyl-CoA racemase MCR
Authors:Bhaumik, P, Wierenga, R.K.
Deposit date:2006-03-15
Release date:2007-02-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Catalysis of the 1,1-Proton Transfer by alpha-Methyl-acyl-CoA Racemase Is Coupled to a Movement of the Fatty Acyl Moiety Over a Hydrophobic, Methionine-rich Surface
J.Mol.Biol., 367, 2007
2GCE
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BU of 2gce by Molmil
The 1,1-proton transfer reaction mechanism by alpha-methylacyl-CoA racemase is catalyzed by an aspartate/histidine pair and involves a smooth, methionine-rich surface for binding the fatty acyl moiety
Descriptor: (R)-IBUPROFENOYL-COENZYME A, (S)-IBUPROFENOYL-COENZYME A, probable alpha-methylacyl-CoA racemase MCR
Authors:Bhaumik, P, Wierenga, R.K.
Deposit date:2006-03-14
Release date:2007-02-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Catalysis of the 1,1-Proton Transfer by alpha-Methyl-acyl-CoA Racemase Is Coupled to a Movement of the Fatty Acyl Moiety Over a Hydrophobic, Methionine-rich Surface
J.Mol.Biol., 367, 2007
2GD2
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BU of 2gd2 by Molmil
The 1,1-proton transfer reaction mechanism by alpha-methylacyl-CoA racemase is catalyzed by an aspartate/histidine pair and involves a smooth, methionine-rich surface for binding the fatty acyl moiety
Descriptor: ACETOACETYL-COENZYME A, GLYCEROL, probable alpha-methylacyl-CoA racemase MCR
Authors:Bhaumik, P, Wierenga, R.K.
Deposit date:2006-03-15
Release date:2007-02-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Catalysis of the 1,1-Proton Transfer by alpha-Methyl-acyl-CoA Racemase Is Coupled to a Movement of the Fatty Acyl Moiety Over a Hydrophobic, Methionine-rich Surface
J.Mol.Biol., 367, 2007
1CSK
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BU of 1csk by Molmil
THE CRYSTAL STRUCTURE OF HUMAN CSKSH3: STRUCTURAL DIVERSITY NEAR THE RT-SRC AND N-SRC LOOP
Descriptor: C-SRC SH3 DOMAIN
Authors:Mathieu, M, Wierenga, R.K.
Deposit date:1994-03-22
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of human CskSH3: structural diversity near the RT-Src and n-Src loop.
FEBS Lett., 341, 1994
1M1O
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BU of 1m1o by Molmil
Crystal structure of biosynthetic thiolase, C89A mutant, complexed with acetoacetyl-CoA
Descriptor: ACETOACETYL-COENZYME A, Acetyl-CoA acetyltransferase, SULFATE ION
Authors:Kursula, P, Ojala, J, Lambeir, A.-M, Wierenga, R.K.
Deposit date:2002-06-20
Release date:2002-11-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The catalytic cycle of biosynthetic thiolase: A conformational journey of an acetyl group through four binding modes and two oxyanion holes
Biochemistry, 41, 2002
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
8OQQ
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BU of 8oqq by Molmil
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
8OPU
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BU of 8opu by Molmil
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
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
8OPV
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BU of 8opv by Molmil
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
1M3K
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BU of 1m3k by Molmil
biosynthetic thiolase, inactive C89A mutant
Descriptor: Acetyl-CoA acetyltransferase, GLYCEROL, SULFATE ION
Authors:Kursula, P, Ojala, J, Lambeir, A.-M, Wierenga, R.K.
Deposit date:2002-06-28
Release date:2002-11-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The catalytic cycle of biosynthetic thiolase: A conformational journey of an acetyl group through four binding modes and two oxyanion holes
Biochemistry, 41, 2002
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
1NL7
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BU of 1nl7 by Molmil
Z. ramigera biosynthetic thiolase, acetylated enzyme complexed with CoA at pH 9.5
Descriptor: Acetyl-CoA acetyltransferase, COENZYME A, SULFATE ION
Authors:Kursula, P, Wierenga, R.K.
Deposit date:2003-01-06
Release date:2004-04-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:Crystal structures of Z. ramigera biosynthetic thiolase
To be Published
5AB4
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BU of 5ab4 by Molmil
Crystal structure of Trypanosoma brucei SCP2-thiolase like protein (TbSLP) form-I.
Descriptor: SCP2-THIOLASE LIKE PROTEIN
Authors:Harijan, R.K, Kiema, T.R, Wierenga, R.K.
Deposit date:2015-08-01
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:The Scp2-Thiolase-Like Protein (Slp) of Trypanosoma Brucei is an Enzyme Involved in Lipid Metabolism.
Proteins, 84, 2016
5AB5
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BU of 5ab5 by Molmil
Crystal structure of Trypanosoma brucei SCP2-thiolase like protein (TbSLP) form-II.
Descriptor: 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 (2 Å)
Cite:The Scp2-Thiolase-Like Protein (Slp) of Trypanosoma Brucei is an Enzyme Involved in Lipid Metabolism.
Proteins, 84, 2016
1KV5
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BU of 1kv5 by Molmil
Structure of Trypanosoma brucei brucei TIM with the salt-bridge-forming residue Arg191 mutated to Ser
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-PHOSPHOGLYCOLIC ACID, GLYCEROL, ...
Authors:Kursula, I, Partanen, S, Lambeir, A.-M, Wierenga, R.K.
Deposit date:2002-01-25
Release date:2002-03-29
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The importance of the conserved Arg191-Asp227 salt bridge of triosephosphate isomerase for folding, stability, and catalysis
FEBS Lett., 518, 2002
3ZW9
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BU of 3zw9 by Molmil
CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE 1 (RPMFE1) COMPLEXED WITH (2S,3S)-3-HYDROXY-2-METHYLBUTANOYL-COA
Descriptor: (2S,3S)-3-HYDROXY-2-METHYLBUTANOYL-COA, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PEROXISOMAL BIFUNCTIONAL ENZYME, ...
Authors:Kasaragod, P, Schmitz, W, Hiltunen, J.K, Wierenga, R.K.
Deposit date:2011-07-28
Release date:2012-08-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Isomerase and Hydratase Reaction Mechanism of the Crotonase Active Site of the Multifunctional Enzyme (Type-1), as Deduced from Structures of Complexes with 3S-Hydroxy- Acyl-Coa.
FEBS J., 280, 2013

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