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3TV5
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BU of 3tv5 by Molmil
Crystal Structure of the humanized carboxyltransferase domain of yeast Acetyl-coA caroxylase in complex with compound 1
Descriptor: (3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN-4-YLCARBONYL)-1,4'-BIPIPERIDINE, Acetyl-CoA carboxylase
Authors:Rajamohan, F, Marr, E, Reyes, A, Landro, J.A, Anderson, M.D, Corbett, J.W, Dirico, K.J, Harwood, J.H, Tu, M, Vajdos, F.F.
Deposit date:2011-09-19
Release date:2011-10-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-guided Inhibitor Design for Human Acetyl-coenzyme A Carboxylase by Interspecies Active Site Conversion.
J.Biol.Chem., 286, 2011
3TVU
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BU of 3tvu by Molmil
Crystal Structure of the humanized carboxyltransferase domain of yeast Acetyl-coA caroxylase in complex with compound 3
Descriptor: 4-({4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl}carbonyl)-2-phenylquinoline, Acetyl-CoA carboxylase
Authors:Rajamohan, F, Marr, E, Reyes, A, Landro, J.A, Anderson, M.D, Corbett, J.W, Dirico, K.J, Harwood, J.H, Tu, M, Vajdos, F.F.
Deposit date:2011-09-20
Release date:2011-10-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-guided Inhibitor Design for Human Acetyl-coenzyme A Carboxylase by Interspecies Active Site Conversion.
J.Biol.Chem., 286, 2011
3TZ3
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BU of 3tz3 by Molmil
Crystal Structure of the humanized carboxyltransferase domain of yeast Acetyl-coA caroxylase in complex with compound 2
Descriptor: 6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline, Acetyl-CoA carboxylase
Authors:Rajamohan, F, Marr, E, Reyes, A, Landro, J.A, Anderson, M.D, Corbett, J.W, Dirico, K.J, Harwood, J.H, Tu, M, Vajdos, F.F.
Deposit date:2011-09-26
Release date:2011-10-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-guided Inhibitor Design for Human Acetyl-coenzyme A Carboxylase by Interspecies Active Site Conversion.
J.Biol.Chem., 286, 2011
3TVW
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BU of 3tvw by Molmil
Crystal Structure of the humanized carboxyltransferase domain of yeast Acetyl-coA caroxylase in complex with compound 4
Descriptor: Acetyl-CoA carboxylase, [4-(2H-chromen-3-ylmethyl)piperazin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone
Authors:Rajamohan, F, Marr, E, Reyes, A, Landro, J.A, Anderson, M.D, Corbett, J.W, Dirico, K.J, Harwood, J.H, Tu, M, Vajdos, F.F.
Deposit date:2011-09-20
Release date:2011-10-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-guided Inhibitor Design for Human Acetyl-coenzyme A Carboxylase by Interspecies Active Site Conversion.
J.Biol.Chem., 286, 2011
3H0J
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BU of 3h0j by Molmil
Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in complex with compound 2
Descriptor: 6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline, Acetyl-CoA carboxylase
Authors:Zhang, H, Tong, L.
Deposit date:2009-04-09
Release date:2010-04-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2.
Bioorg.Med.Chem.Lett., 20, 2010
2RIP
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BU of 2rip by Molmil
Structure of DPPIV in complex with an inhibitor
Descriptor: (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Qiu, X.
Deposit date:2007-10-12
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design and synthesis of potent amido- and benzyl-substituted cis-3-amino-4-(2-cyanopyrrolidide)pyrrolidinyl DPP-IV inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
3H0S
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BU of 3h0s by Molmil
Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in complex with compound 7
Descriptor: 1'-(1H-indazol-7-ylcarbonyl)-6-methylspiro[chromene-2,4'-piperidin]-4(3H)-one, Acetyl-CoA carboxylase, SULFATE ION
Authors:Vajdos, F.
Deposit date:2009-04-10
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2.
Bioorg.Med.Chem.Lett., 20, 2010
3H0Q
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BU of 3h0q by Molmil
Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in complex with compound 3
Descriptor: 4-({4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl}carbonyl)-2-phenylquinoline, Acetyl-CoA carboxylase
Authors:Zhang, H, Tong, L.
Deposit date:2009-04-10
Release date:2010-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2.
Bioorg.Med.Chem.Lett., 20, 2010
3S41
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BU of 3s41 by Molmil
Glucokinase in complex with activator and glucose
Descriptor: Glucokinase, N,N-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide, SODIUM ION, ...
Authors:Liu, S.
Deposit date:2011-05-18
Release date:2011-09-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Designing glucokinase activators with reduced hypoglycemia risk: discovery of N,N-dimethyl-5-(2-methyl-6-((5-methylpyrazin-2-yl)-carbamoyl)benzofuran-4-yloxy)pyrimidine-2-carboxamide as a clinical candidate for the treatment of type 2 diabetes mellitus
MEDCHEMCOMM, 2, 2011

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