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7AMD
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In situ assembly of choline acetyltransferase ligands by a hydrothiolation reaction reveals key determinants for inhibitor design
Descriptor: Choline O-acetyltransferase, SODIUM ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-2,2-dimethyl-4-[[3-[2-[(1~{R})-2-(1-methylpyridin-4-yl)-1-naphthalen-1-yl-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
Authors:Allgardsson, A, Ekstrom, F.J, Wiktelius, D, Bergstrom, T, Hoster, N, Akfur, C, Forsgren, N, Lejon, C, Hedenstrom, M, Linusson, A.
Deposit date:2020-10-08
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:In Situ Assembly of Choline Acetyltransferase Ligands by a Hydrothiolation Reaction Reveals Key Determinants for Inhibitor Design.
Angew.Chem.Int.Ed.Engl., 60, 2021
4EYW
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Crystal structure of rat carnitine palmitoyltransferase 2 in complex with 1-[(R)-2-(3,4-Dihydro-1H-isoquinoline-2-carbonyl)-piperidin-1-yl]-2-phenoxy-ethanone
Descriptor: 1-[(2R)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)piperidin-1-yl]-2-phenoxyethanone, Carnitine O-palmitoyltransferase 2, mitochondrial, ...
Authors:Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Rufer, A, Joseph, C.
Deposit date:2012-05-02
Release date:2013-04-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.885 Å)
Cite:Isothermal titration calorimetry with micelles: Thermodynamics of inhibitor binding to carnitine palmitoyltransferase 2 membrane protein.
FEBS Open Bio, 3, 2013
4EPH
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BU of 4eph by Molmil
CRYSTAL STRUCTURE OF RAT CARNITINE PALMITOYLTRANSFERASE 2 IN COMPLEX with CoA-site inhibitor
Descriptor: 2-chloro-4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1H-indol-6-yl}carbonyl)amino]benzoic acid, Carnitine O-palmitoyltransferase 2, mitochondrial, ...
Authors:Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M.
Deposit date:2012-04-17
Release date:2013-04-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Isothermal titration calorimetry with micelles: Thermodynamics of inhibitor binding to carnitine palmitoyltransferase 2 membrane protein.
FEBS Open Bio, 3, 2013
4EP9
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BU of 4ep9 by Molmil
CRYSTAL STRUCTURE OF RAT CARNITINE PALMITOYLTRANSFERASE 2 IN COMPLEX WITH CoA-site inhibitor
Descriptor: 4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1H-indol-6-yl}carbonyl)amino]benzoic acid, Carnitine O-palmitoyltransferase 2, mitochondrial, ...
Authors:Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M.
Deposit date:2012-04-17
Release date:2013-04-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Isothermal titration calorimetry with micelles: Thermodynamics of inhibitor binding to carnitine palmitoyltransferase 2 membrane protein.
FEBS Open Bio, 3, 2013
2RCU
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BU of 2rcu by Molmil
Crystal structure of rat carnitine palmitoyltransferase 2 in complex with r-3-(hexadecanoylamino)-4-(trimethylazaniumyl)butanoate
Descriptor: (3R)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoate, Carnitine O-palmitoyltransferase 2, octyl beta-D-glucopyranoside
Authors:Rufer, A.C, Benz, J, Chomienne, O, Thoma, R, Hennig, M.
Deposit date:2007-09-20
Release date:2007-10-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Carnitine palmitoyltransferase 2: analysis of membrane association and complex structure with a substrate analog.
Febs Lett., 581, 2007
2H4T
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Crystal structure of rat carnitine palmitoyltransferase II
Descriptor: Carnitine O-palmitoyltransferase II, mitochondrial, DODECANE
Authors:Hsiao, Y.S, Jogl, G, Esser, V, Tong, L.
Deposit date:2006-05-25
Release date:2006-07-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of rat carnitine palmitoyltransferase II (CPT-II).
Biochem.Biophys.Res.Commun., 346, 2006
2H3W
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Crystal structure of the S554A/M564G mutant of murine carnitine acetyltransferase in complex with hexanoylcarnitine and CoA
Descriptor: (R)-3-CARBOXY-2-(HEXANOYLOXY)-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, COENZYME A, carnitine acetyltransferase
Authors:Hsiao, Y.S, Jogl, G, Tong, L.
Deposit date:2006-05-23
Release date:2006-08-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of murine carnitine acetyltransferase in ternary complexes with its substrates
J.Biol.Chem., 281, 2006
2H3U
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Crystal structure of murine carnitine acetyltransferase in complex with carnitine and CoA
Descriptor: CARNITINE, COENZYME A, carnitine acetyltransferase
Authors:Hsiao, Y.S, Jogl, G, Tong, L.
Deposit date:2006-05-23
Release date:2006-08-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of murine carnitine acetyltransferase in ternary complexes with its substrates
J.Biol.Chem., 281, 2006
2H3P
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Crystal structure of murine carnitine acetyltransferase in complex with carnitine and acetyl-CoA
Descriptor: ACETYL COENZYME *A, CARNITINE, COENZYME A, ...
Authors:Hsiao, Y.S, Jogl, G, Tong, L.
Deposit date:2006-05-22
Release date:2006-08-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of murine carnitine acetyltransferase in ternary complexes with its substrates
J.Biol.Chem., 281, 2006
2DEB
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Crystal structure of rat carnitine palmitoyltransferase 2 in space group C2221
Descriptor: COENZYME A, Carnitine O-palmitoyltransferase II, mitochondrial, ...
Authors:Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M.
Deposit date:2006-02-10
Release date:2007-02-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The crystal structure of carnitine palmitoyltransferase 2 and implications for diabetes treatment
Structure, 14, 2006
2FYO
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BU of 2fyo by Molmil
Crystal structure of rat carnitine palmitoyltransferase 2 in space group P43212
Descriptor: Carnitine O-palmitoyltransferase II, mitochondrial
Authors:Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M.
Deposit date:2006-02-08
Release date:2007-02-08
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of carnitine palmitoyltransferase 2 and implications for diabetes treatment
Structure, 14, 2006
2FY4
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Structures of ligand bound human choline acetyltransferase provide insight into regulation of acetylcholine synthesis
Descriptor: COENZYME A, Choline O-acetyltransferase
Authors:Kim, A.R, Rylett, R.J, Shilton, B.H.
Deposit date:2006-02-07
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Substrate binding and catalytic mechanism of human choline acetyltransferase.
Biochemistry, 45, 2006
2FY5
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Structures of ligand bound human choline acetyltransferase provide insight into regulation of acetylcholine synthesis
Descriptor: Choline O-acetyltransferase, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-3-HYDROXY-2,2-DIMETHYL-4-OXO-4-{[3-OXO-3-({2-[(2-OXOPROPYL)THIO]ETHYL}AMINO)PROPYL]AMINO}BUTYL DIHYDROGEN DIPHOSPHATE
Authors:Kim, A.R, Rylett, R.J, Shilton, B.H.
Deposit date:2006-02-07
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Substrate binding and catalytic mechanism of human choline acetyltransferase.
Biochemistry, 45, 2006
2FY2
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Structures of ligand bound human choline acetyltransferase provide insight into regulation of acetylcholine synthesis
Descriptor: Choline O-acetyltransferase
Authors:Kim, A.R, Rylett, R.J, Shilton, B.H.
Deposit date:2006-02-07
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Substrate binding and catalytic mechanism of human choline acetyltransferase.
Biochemistry, 45, 2006
2FY3
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BU of 2fy3 by Molmil
Structures of ligand bound human choline acetyltransferase provides insight into regulation of acetylcholine synthesis
Descriptor: CHOLINE ION, Choline O-acetyltransferase, GLYCEROL
Authors:Kim, A.R, Rylett, R.J, Shilton, B.H.
Deposit date:2006-02-07
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Substrate binding and catalytic mechanism of human choline acetyltransferase.
Biochemistry, 45, 2006
2FW3
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BU of 2fw3 by Molmil
Crystal structure of rat carnitine palmitoyltransferase 2 in complex with antidiabetic drug ST1326
Descriptor: (3R)-3-{[(TETRADECYLAMINO)CARBONYL]AMINO}-4-(TRIMETHYLAMMONIO)BUTANOATE, Carnitine O-palmitoyltransferase II, mitochondrial
Authors:Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M.
Deposit date:2006-02-01
Release date:2007-02-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of carnitine palmitoyltransferase 2 and implications for diabetes treatment
Structure, 14, 2006
1XMD
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BU of 1xmd by Molmil
M335V mutant structure of mouse carnitine octanoyltransferase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Peroxisomal carnitine O-octanoyltransferase
Authors:Jogl, G, Hsiao, Y.S, Tong, L.
Deposit date:2004-10-01
Release date:2004-10-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of mouse carnitine octanoyltransferase and molecular determinants of substrate selectivity.
J.Biol.Chem., 280, 2005
1XMC
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C323M mutant structure of mouse carnitine octanoyltransferase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Peroxisomal carnitine O-octanoyltransferase
Authors:Jogl, G, Hsiao, Y.S, Tong, L.
Deposit date:2004-10-01
Release date:2004-10-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of mouse carnitine octanoyltransferase and molecular determinants of substrate selectivity.
J.Biol.Chem., 280, 2005
1XL7
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BU of 1xl7 by Molmil
Crystal Structure of Mouse Carnitine Octanoyltransferase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Peroxisomal carnitine O-octanoyltransferase
Authors:Jogl, G, Hsiao, Y.S, Tong, L.
Deposit date:2004-09-30
Release date:2004-10-19
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of mouse carnitine octanoyltransferase and molecular determinants of substrate selectivity.
J.Biol.Chem., 280, 2005
1XL8
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Crystal structure of mouse carnitine octanoyltransferase in complex with octanoylcarnitine
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CARNITINE, OCTANOYLCARNITINE, ...
Authors:Jogl, G, Hsiao, Y.S, Tong, L.
Deposit date:2004-09-30
Release date:2004-10-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of mouse carnitine octanoyltransferase and molecular determinants of substrate selectivity.
J.Biol.Chem., 280, 2005
1T7O
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BU of 1t7o by Molmil
Crystal structure of the M564G mutant of murine carnitine acetyltransferase in complex with carnitine
Descriptor: CARNITINE, Carnitine acetyltransferase
Authors:Hsiao, Y.-S, Jogl, G, Tong, L.
Deposit date:2004-05-10
Release date:2004-06-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and biochemical studies of the substrate selectivity of carnitine acetyltransferase
J.Biol.Chem., 279, 2004
1T7Q
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Crystal structure of the F565A mutant of murine carnitine acetyltransferase in complex with carnitine and CoA
Descriptor: 1,2-ETHANEDIOL, CARNITINE, COENZYME A, ...
Authors:Hsiao, Y.-S, Jogl, G, Tong, L.
Deposit date:2004-05-10
Release date:2004-06-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and biochemical studies of the substrate selectivity of carnitine acetyltransferase
J.Biol.Chem., 279, 2004
1T7N
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BU of 1t7n by Molmil
Crystal structure of the M564G mutant of murine CrAT
Descriptor: Carnitine acetyltransferase
Authors:Hsiao, Y.-S, Jogl, G, Tong, L.
Deposit date:2004-05-10
Release date:2004-06-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and biochemical studies of the substrate selectivity of carnitine acetyltransferase
J.Biol.Chem., 279, 2004
1T1U
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Structural Insights and Functional Implications of Choline Acetyltransferase
Descriptor: Choline O-acetyltransferase
Authors:Govindasamy, L, Pedersen, B, Lian, W, Kukar, T, Gu, Y, Jin, S, Agbandje-McKenna, M, Wu, D.
Deposit date:2004-04-18
Release date:2005-04-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural insights and functional implications of choline acetyltransferase
J.Struct.Biol., 148, 2004
1S5O
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Structural and Mutational Characterization of L-carnitine Binding to Human carnitine Acetyltransferase
Descriptor: CARNITINE, carnitine acetyltransferase isoform 2
Authors:Govindasamy, L, Kukar, T, Lian, W, Pedersen, B, Gu, Y, Agbandje-Mckenna, M, Jin, S, Mckenna, R, Wu, D.
Deposit date:2004-01-21
Release date:2004-02-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and mutational characterization of l-carnitine binding to human carnitine acetyltransferase.
J.Struct.Biol., 146, 2004

 

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