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7D41
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BU of 7d41 by Molmil
Crystal structure of type III polyketide synthase from Mycobacterium marinum - P 21 21 21 Space group
Descriptor: Chalcone synthase-like protein, Chalcone/stilbene synthase, OCTANOIC ACID (CAPRYLIC ACID)
Authors:Pratap, S, Kant, A, Saxena, P, Krishnan, V.
Deposit date:2020-09-21
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.419 Å)
Cite:crystal structure of type III polyketide synthase from Mycobacterium marinum
To Be Published
6QCL
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BU of 6qcl by Molmil
Citryl-CoA lyase core module of Chlorobium limicola ATP citrate lyase in complex with acetyl-CoA and L-malate
Descriptor: (2S)-2-hydroxybutanedioic acid, ACETYL COENZYME *A, ATP-citrate lyase alpha-subunit, ...
Authors:Verstraete, K, Verschueren, K.
Deposit date:2018-12-28
Release date:2019-04-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Nature, 568, 2019
2KGC
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BU of 2kgc by Molmil
NMR Solution Structures of octanoyl ACP (a non-natural intermediate) from the actinorhodin polyketide synthase in Streptomyces coelicolor
Descriptor: Actinorhodin polyketide synthase acyl carrier protein, S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate
Authors:Crump, M.P, Evans, S.E, Williams, C.
Deposit date:2009-03-08
Release date:2009-04-14
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2).
J.Mol.Biol., 389, 2009
6R7D
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BU of 6r7d by Molmil
Crystal structure of LTC4S in complex with AZ13690257
Descriptor: (1~{S},2~{S})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid, DODECYL-BETA-D-MALTOSIDE, Leukotriene C4 synthase, ...
Authors:Kack, H, Ek, M.
Deposit date:2019-03-28
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic Acid (AZD9898) as a New Treatment for Asthma.
J.Med.Chem., 62, 2019
8GHD
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BU of 8ghd by Molmil
The structure of h12-LOX in hexameric form bound to inhibitor ML355 and arachidonic acid
Descriptor: ARACHIDONIC ACID, FE (II) ION, N-(1,3-benzothiazol-2-yl)-4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}benzene-1-sulfonamide, ...
Authors:Black, K.A, Mobbs, J.I, Venugopal, H, Thal, D.M, Glukhova, A.
Deposit date:2023-03-09
Release date:2023-08-09
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Cryo-EM structures of human arachidonate 12S-lipoxygenase bound to endogenous and exogenous inhibitors.
Blood, 142, 2023
2KGA
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BU of 2kga by Molmil
NMR Solution Structures of hexanoyl ACP (a non natural intermediate) from the actinorhodin polyketide synthase in Streptomyces coelicolor
Descriptor: Actinorhodin polyketide synthase acyl carrier protein, S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate
Authors:Crump, M.P, Evans, S.E, Williams, C.
Deposit date:2009-03-07
Release date:2009-04-14
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2).
J.Mol.Biol., 389, 2009
2QC3
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BU of 2qc3 by Molmil
Crystal structure of MCAT from Mycobacterium tuberculosis
Descriptor: ACETIC ACID, Malonyl CoA-acyl carrier protein transacylase
Authors:Li, Z, Huang, Y, Ge, J, Bartlam, M, Wang, H, Rao, Z.
Deposit date:2007-06-19
Release date:2007-08-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Crystal Structure of MCAT from Mycobacterium tuberculosis Reveals Three New Catalytic Models.
J.Mol.Biol., 371, 2007
3EUO
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BU of 3euo by Molmil
crystal structure of a fungal type III polyketide synthase, ORAS
Descriptor: Type III Pentaketide Synthase
Authors:Zhang, H, Brunzelle, J.S, Nair, S.K.
Deposit date:2008-10-10
Release date:2008-11-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Distinct Structural Elements Dictate the Specificity of the Type III Pentaketide Synthase from Neurospora crassa.
Chem.Biol., 15, 2008
5FM0
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BU of 5fm0 by Molmil
Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis (PtCl4 derivative)
Descriptor: 6-CARBOXYHEXANOATE--COA LIGASE, MAGNESIUM ION, PIMELOYL-AMP, ...
Authors:Moynie, L, Wang, M, Campopiano, D.J, Naismith, J.H.
Deposit date:2015-10-29
Release date:2016-11-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Using the pimeloyl-CoA synthetase adenylation fold to synthesize fatty acid thioesters.
Nat. Chem. Biol., 13, 2017
4AMN
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BU of 4amn by Molmil
Crystal Structure of the Acyltransferase Domain of the Iterative Polyketide Synthase in Enediyne Biosynthesis Reveals the Molecular Basis of Substrate Specificity
Descriptor: CHLORIDE ION, DYNE8, GLYCEROL
Authors:Liew, C.W, Lescar, J.
Deposit date:2012-03-13
Release date:2012-05-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of the Acyltransferase Domain of the Iterative Polyketide Synthase in Enediyne Biosynthesis.
J.Biol.Chem., 287, 2012
7RIG
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BU of 7rig by Molmil
Structure of ACLY-D1026A-substrates
Descriptor: (3S)-citryl-Coenzyme A, ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase, ...
Authors:Wei, X, Marmorstein, R.
Deposit date:2021-07-19
Release date:2023-05-10
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Allosteric role of the citrate synthase homology domain of ATP citrate lyase.
Nat Commun, 14, 2023
7RKZ
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BU of 7rkz by Molmil
Structure of ACLY D1026A-substrates-asym-int
Descriptor: (3S)-citryl-Coenzyme A, ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase, ...
Authors:Wei, X, Marmorstein, R.
Deposit date:2021-07-22
Release date:2023-05-10
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Allosteric role of the citrate synthase homology domain of ATP citrate lyase.
Nat Commun, 14, 2023
7RMP
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BU of 7rmp by Molmil
Structure of ACLY D1026A - substrates-asym
Descriptor: (3S)-citryl-Coenzyme A, ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase, ...
Authors:Wei, X, Marmorstein, R.
Deposit date:2021-07-28
Release date:2023-05-10
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Allosteric role of the citrate synthase homology domain of ATP citrate lyase.
Nat Commun, 14, 2023
4AMP
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BU of 4amp by Molmil
Crystal Structure of the Acyltransferase Domain of the Iterative Polyketide Synthase in Enediyne Biosynthesis Reveals the Molecular Basis of Substrate Specificity
Descriptor: CHLORIDE ION, DYNE8, GLYCEROL, ...
Authors:Liew, C.W, Lescar, J.
Deposit date:2012-03-13
Release date:2012-05-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of the Acyltransferase Domain of the Iterative Polyketide Synthase in Enediyne Biosynthesis.
J.Biol.Chem., 287, 2012
2KGD
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BU of 2kgd by Molmil
NMR Solution Structures of 3-oxo-butyl-ACP, an intermediate mimic from the actinorhodin polyketide synthase in Streptomyces coelicolor
Descriptor: Actinorhodin polyketide synthase acyl carrier protein, N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(3-oxobutyl)sulfanyl]ethyl}-beta-alaninamide
Authors:Crump, M.P, Evans, S.E, Williams, C.
Deposit date:2009-03-08
Release date:2009-04-14
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2).
J.Mol.Biol., 389, 2009
3HKK
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BU of 3hkk by Molmil
Structure of human Leukotriene C4 synthase in complex with glutathione sulfonate
Descriptor: GLUTATHIONE SULFONIC ACID, Leukotriene C4 synthase, PALMITIC ACID, ...
Authors:Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2009-05-24
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Pre-steady state kinetics of human Leukotriene C4 synthase
To be Published
4AMM
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BU of 4amm by Molmil
Crystal Structure of the Acyltransferase Domain of the Iterative Polyketide Synthase in Enediyne Biosynthesis Reveals the Molecular Basis of Substrate Specificity
Descriptor: CHLORIDE ION, DYNE8
Authors:Liew, C.W, Lescar, J.
Deposit date:2012-03-13
Release date:2012-05-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of the Acyltransferase Domain of the Iterative Polyketide Synthase in Enediyne Biosynthesis.
J.Biol.Chem., 287, 2012
2KGE
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BU of 2kge by Molmil
NMR Solution Structures of 3,5-dioxohexyl ACP (a triketide mimic) from the actinorhodin polyketide synthase in Streptomyces coelicolor
Descriptor: Actinorhodin polyketide synthase acyl carrier protein, N-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}-N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Authors:Crump, M.P, Evans, S.E, Williams, C.
Deposit date:2009-03-08
Release date:2009-04-14
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2).
J.Mol.Biol., 389, 2009
8G1F
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BU of 8g1f by Molmil
Structure of ACLY-D1026A-products
Descriptor: (3S)-citryl-Coenzyme A, ACETYL COENZYME *A, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Wei, X, Marmorstein, R.
Deposit date:2023-02-02
Release date:2023-05-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Allosteric role of the citrate synthase homology domain of ATP citrate lyase.
Nat Commun, 14, 2023
8G5D
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BU of 8g5d by Molmil
Structure of ACLY-D1026A-products, local refinement of ASH domain
Descriptor: (3S)-citryl-Coenzyme A, ACETYL COENZYME *A, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Wei, X, Marmorstein, R.
Deposit date:2023-02-13
Release date:2023-05-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Allosteric role of the citrate synthase homology domain of ATP citrate lyase.
Nat Commun, 14, 2023
8G1E
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BU of 8g1e by Molmil
Structure of ACLY-D1026A-products-asym
Descriptor: (3S)-citryl-Coenzyme A, ACETYL COENZYME *A, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Wei, X, Marmorstein, R.
Deposit date:2023-02-02
Release date:2023-05-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Allosteric role of the citrate synthase homology domain of ATP citrate lyase.
Nat Commun, 14, 2023
8G5C
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BU of 8g5c by Molmil
Structure of ACLY-D1026A-substrates, local refinement of ASH domain
Descriptor: (3S)-citryl-Coenzyme A, ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase, ...
Authors:Xuepeng, W, Ronen, M.
Deposit date:2023-02-12
Release date:2023-05-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Allosteric role of the citrate synthase homology domain of ATP citrate lyase.
Nat Commun, 14, 2023
1MZJ
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BU of 1mzj by Molmil
Crystal Structure of the Priming beta-Ketosynthase from the R1128 Polyketide Biosynthetic Pathway
Descriptor: ACETYL GROUP, Beta-ketoacylsynthase III, COENZYME A
Authors:Pan, H, Tsai, S.C, Meadows, E.S, Miercke, L.J.W, Keatinge-Clay, A, O'Connell, J, Khosla, C, Stroud, R.M.
Deposit date:2002-10-08
Release date:2002-12-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the priming beta-ketosynthase from the R1128 polyketide biosynthetic pathway
Structure, 10
4B0N
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BU of 4b0n by Molmil
Crystal structure of PKS-I from the brown algae Ectocarpus siliculosus
Descriptor: ARACHIDONIC ACID, MALONIC ACID, POLYKETIDE SYNTHASE III
Authors:Leroux, C, Meslet-Cladiere, L, Delage, L, Goulitquer, S, Leblanc, C, Ar Gall, E, Stiger-Pouvreau, V, Potin, P, Czjzek, M.
Deposit date:2012-07-03
Release date:2013-07-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure/Function Analysis of a Type III Polyketide Synthase in the Brown Alga Ectocarpus Siliculosus Reveals a Biochemical Pathway in Phlorotannin Monomer Biosynthesis.
Plant Cell, 25, 2013
1XPM
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BU of 1xpm by Molmil
Crystal Structure of Staphylococcus aureus HMG-COA Synthase with HMG-CoA and Acetoacetyl-COA and Acetylated Cysteine
Descriptor: 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, 3-hydroxy-3-methylglutaryl CoA synthase, ACETOACETYL-COENZYME A, ...
Authors:Theisen, M.J, Misra, I, Saadat, D, Campobasso, N, Miziorko, H.M, Harrison, D.H.T.
Deposit date:2004-10-08
Release date:2004-11-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:3-hydroxy-3-methylglutaryl-CoA synthase intermediate complex observed in "real-time"
Proc.Natl.Acad.Sci.USA, 47, 2004

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