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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
分子名称: 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
著者Allgardsson, A, Ekstrom, F.J, Wiktelius, D, Bergstrom, T, Hoster, N, Akfur, C, Forsgren, N, Lejon, C, Hedenstrom, M, Linusson, A.
登録日2020-10-08
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献In Situ Assembly of Choline Acetyltransferase Ligands by a Hydrothiolation Reaction Reveals Key Determinants for Inhibitor Design.
Angew.Chem.Int.Ed.Engl., 60, 2021
2DEB
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BU of 2deb by Molmil
Crystal structure of rat carnitine palmitoyltransferase 2 in space group C2221
分子名称: COENZYME A, Carnitine O-palmitoyltransferase II, mitochondrial, ...
著者Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M.
登録日2006-02-10
公開日2007-02-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The crystal structure of carnitine palmitoyltransferase 2 and implications for diabetes treatment
Structure, 14, 2006
4EPH
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CRYSTAL STRUCTURE OF RAT CARNITINE PALMITOYLTRANSFERASE 2 IN COMPLEX with CoA-site inhibitor
分子名称: 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, ...
著者Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M.
登録日2012-04-17
公開日2013-04-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: (3R)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoate, Carnitine O-palmitoyltransferase 2, octyl beta-D-glucopyranoside
著者Rufer, A.C, Benz, J, Chomienne, O, Thoma, R, Hennig, M.
登録日2007-09-20
公開日2007-10-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Carnitine palmitoyltransferase 2: analysis of membrane association and complex structure with a substrate analog.
Febs Lett., 581, 2007
4EP9
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BU of 4ep9 by Molmil
CRYSTAL STRUCTURE OF RAT CARNITINE PALMITOYLTRANSFERASE 2 IN COMPLEX WITH CoA-site inhibitor
分子名称: 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, ...
著者Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M.
登録日2012-04-17
公開日2013-04-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Isothermal titration calorimetry with micelles: Thermodynamics of inhibitor binding to carnitine palmitoyltransferase 2 membrane protein.
FEBS Open Bio, 3, 2013
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
分子名称: 1-[(2R)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)piperidin-1-yl]-2-phenoxyethanone, Carnitine O-palmitoyltransferase 2, mitochondrial, ...
著者Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Rufer, A, Joseph, C.
登録日2012-05-02
公開日2013-04-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.885 Å)
主引用文献Isothermal titration calorimetry with micelles: Thermodynamics of inhibitor binding to carnitine palmitoyltransferase 2 membrane protein.
FEBS Open Bio, 3, 2013
1NDF
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Carnitine Acetyltransferase in Complex with Carnitine
分子名称: CARNITINE, Carnitine Acetyltransferase
著者Jogl, G, Tong, L.
登録日2002-12-09
公開日2003-01-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Carnitine Acetyltransferase and Implications for the Catalytic Mechanism and Fatty Acid Transport
Cell(Cambridge,Mass.), 112, 2003
1NDI
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Carnitine Acetyltransferase in complex with CoA
分子名称: COENZYME A, Carnitine Acetyltransferase
著者Jogl, G, Tong, L.
登録日2002-12-09
公開日2003-01-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Carnitine Acetyltransferase and Implications for the Catalytic Mechanism and Fatty Acid Transport
Cell(Cambridge,Mass.), 112, 2003
1NDB
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Crystal structure of Carnitine Acetyltransferase
分子名称: Carnitine Acetyltransferase
著者Jogl, G, Tong, L.
登録日2002-12-09
公開日2003-01-28
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Carnitine Acetyltransferase and Implications for the Catalytic Mechanism and Fatty Acid Transport
Cell(Cambridge,Mass.), 112, 2003
1NM8
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Structure of Human Carnitine Acetyltransferase: Molecular Basis for Fatty Acyl Transfer
分子名称: Carnitine O-acetyltransferase
著者Wu, D, Govindasamy, L, Lian, W, Gu, Y, Kukar, T, Agbandje-McKenna, M, McKenna, R.
登録日2003-01-09
公開日2003-03-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of Human Carnitine Acetyltransferase. Molecular Basis for Fatty Acyl Transfer
J.Biol.Chem., 278, 2003
1Q6X
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BU of 1q6x by Molmil
Crystal structure of rat choline acetyltransferase
分子名称: SODIUM ION, choline O-acetyltransferase
著者Cai, Y, Rodgers, D.W.
登録日2003-08-14
公開日2004-06-01
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Choline acetyltransferase structure reveals distribution of mutations that cause motor disorders.
Embo J., 23, 2004
1S5O
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Structural and Mutational Characterization of L-carnitine Binding to Human carnitine Acetyltransferase
分子名称: CARNITINE, carnitine acetyltransferase isoform 2
著者Govindasamy, L, Kukar, T, Lian, W, Pedersen, B, Gu, Y, Agbandje-Mckenna, M, Jin, S, Mckenna, R, Wu, D.
登録日2004-01-21
公開日2004-02-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and mutational characterization of l-carnitine binding to human carnitine acetyltransferase.
J.Struct.Biol., 146, 2004
1T1U
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Structural Insights and Functional Implications of Choline Acetyltransferase
分子名称: Choline O-acetyltransferase
著者Govindasamy, L, Pedersen, B, Lian, W, Kukar, T, Gu, Y, Jin, S, Agbandje-McKenna, M, Wu, D.
登録日2004-04-18
公開日2005-04-12
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural insights and functional implications of choline acetyltransferase
J.Struct.Biol., 148, 2004
1T7O
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BU of 1t7o by Molmil
Crystal structure of the M564G mutant of murine carnitine acetyltransferase in complex with carnitine
分子名称: CARNITINE, Carnitine acetyltransferase
著者Hsiao, Y.-S, Jogl, G, Tong, L.
登録日2004-05-10
公開日2004-06-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, CARNITINE, COENZYME A, ...
著者Hsiao, Y.-S, Jogl, G, Tong, L.
登録日2004-05-10
公開日2004-06-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and biochemical studies of the substrate selectivity of carnitine acetyltransferase
J.Biol.Chem., 279, 2004
1T7N
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Crystal structure of the M564G mutant of murine CrAT
分子名称: Carnitine acetyltransferase
著者Hsiao, Y.-S, Jogl, G, Tong, L.
登録日2004-05-10
公開日2004-06-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and biochemical studies of the substrate selectivity of carnitine acetyltransferase
J.Biol.Chem., 279, 2004
1XL7
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Crystal Structure of Mouse Carnitine Octanoyltransferase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Peroxisomal carnitine O-octanoyltransferase
著者Jogl, G, Hsiao, Y.S, Tong, L.
登録日2004-09-30
公開日2004-10-19
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of mouse carnitine octanoyltransferase and molecular determinants of substrate selectivity.
J.Biol.Chem., 280, 2005
1XMD
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M335V mutant structure of mouse carnitine octanoyltransferase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Peroxisomal carnitine O-octanoyltransferase
著者Jogl, G, Hsiao, Y.S, Tong, L.
登録日2004-10-01
公開日2004-10-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CARNITINE, OCTANOYLCARNITINE, ...
著者Jogl, G, Hsiao, Y.S, Tong, L.
登録日2004-09-30
公開日2004-10-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Peroxisomal carnitine O-octanoyltransferase
著者Jogl, G, Hsiao, Y.S, Tong, L.
登録日2004-10-01
公開日2004-10-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of mouse carnitine octanoyltransferase and molecular determinants of substrate selectivity.
J.Biol.Chem., 280, 2005
2FYO
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BU of 2fyo by Molmil
Crystal structure of rat carnitine palmitoyltransferase 2 in space group P43212
分子名称: Carnitine O-palmitoyltransferase II, mitochondrial
著者Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M.
登録日2006-02-08
公開日2007-02-08
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of carnitine palmitoyltransferase 2 and implications for diabetes treatment
Structure, 14, 2006
2FY4
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BU of 2fy4 by Molmil
Structures of ligand bound human choline acetyltransferase provide insight into regulation of acetylcholine synthesis
分子名称: COENZYME A, Choline O-acetyltransferase
著者Kim, A.R, Rylett, R.J, Shilton, B.H.
登録日2006-02-07
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Substrate binding and catalytic mechanism of human choline acetyltransferase.
Biochemistry, 45, 2006
2FW3
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Crystal structure of rat carnitine palmitoyltransferase 2 in complex with antidiabetic drug ST1326
分子名称: (3R)-3-{[(TETRADECYLAMINO)CARBONYL]AMINO}-4-(TRIMETHYLAMMONIO)BUTANOATE, Carnitine O-palmitoyltransferase II, mitochondrial
著者Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M.
登録日2006-02-01
公開日2007-02-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of carnitine palmitoyltransferase 2 and implications for diabetes treatment
Structure, 14, 2006
2FY2
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Structures of ligand bound human choline acetyltransferase provide insight into regulation of acetylcholine synthesis
分子名称: Choline O-acetyltransferase
著者Kim, A.R, Rylett, R.J, Shilton, B.H.
登録日2006-02-07
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献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
分子名称: 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
著者Kim, A.R, Rylett, R.J, Shilton, B.H.
登録日2006-02-07
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Substrate binding and catalytic mechanism of human choline acetyltransferase.
Biochemistry, 45, 2006

 

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