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2N0N
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BU of 2n0n by Molmil
NMR solution structure for lactam (5,9) 11mer
分子名称: lactam (5,9) 11mer peptide
著者Hoang, H.N, Song, K, Hill, T.A, Derksen, D.R, Edmonds, D.J, Kok, W.M, Limberakis, C, Liras, S, Loria, P.M, Mascitti, V, Mathiowetz, A.M, Mitchell, J.M, Piotrowski, D.W, Price, D.A, Stanton, R.V, Suen, J.Y, Withka, J.M, Griffith, D.A, Fairlie, D.P.
登録日2015-03-10
公開日2015-04-15
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Short Hydrophobic Peptides with Cyclic Constraints Are Potent Glucagon-like Peptide-1 Receptor (GLP-1R) Agonists.
J.Med.Chem., 58, 2015
2N08
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BU of 2n08 by Molmil
NMR structure of a short hydrophobic 11mer peptide in 25 mM SDS solution
分子名称: Short hydrophobic peptide with cyclic constraints
著者Hoang, H.N, Song, K, Hill, T.A, Derksen, D.R, Edmonds, D.J, Kok, W.M, Limberakis, C, Liras, S, Loria, P.M, Mascitti, V, Mathiowetz, A.M, Mitchell, J.M, Piotrowski, D.W, Price, D.A, Stanton, R.V, Suen, J.Y, Withka, J.M, Griffith, D.A, Fairlie, D.P.
登録日2015-03-04
公開日2015-04-15
最終更新日2015-05-27
実験手法SOLUTION NMR
主引用文献Short Hydrophobic Peptides with Cyclic Constraints Are Potent Glucagon-like Peptide-1 Receptor (GLP-1R) Agonists.
J.Med.Chem., 58, 2015
2N0I
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BU of 2n0i by Molmil
NMR solution structure for di-sulfide 11mer peptide
分子名称: di-sulfide 11mer peptide
著者Hoang, H.N, Song, K, Hill, T.A, Derksen, D.R, Edmonds, D.J, Kok, W.M, Limberakis, C, Liras, S, Loria, P.M, Mascitti, V, Mathiowetz, A.M, Mitchell, J.M, Piotrowski, D.W, Price, D.A, Stanton, R.V, Suen, J.Y, Withka, J.M, Griffith, D.A, Fairlie, D.P.
登録日2015-03-09
公開日2015-04-15
最終更新日2024-04-03
実験手法SOLUTION NMR
主引用文献Short Hydrophobic Peptides with Cyclic Constraints Are Potent Glucagon-like Peptide-1 Receptor (GLP-1R) Agonists.
J.Med.Chem., 58, 2015
2N09
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BU of 2n09 by Molmil
NMR structure of a short hydrophobic 11mer peptide in DMSO-d6/H2O (1:3) solution
分子名称: Short hydrophobic peptide with cyclic constraints
著者Hoang, H.N, Song, K, Hill, T.A, Derksen, D.R, Edmonds, D.J, Kok, W.M, Limberakis, C, Liras, S, Loria, P.M, Mascitti, V, Mathiowetz, A.M, Mitchell, J.M, Piotrowski, D.W, Price, D.A, Stanton, R.V, Suen, J.Y, Withka, J.M, Griffith, D.A, Fairlie, D.P.
登録日2015-03-04
公開日2015-04-15
最終更新日2015-05-27
実験手法SOLUTION NMR
主引用文献Short Hydrophobic Peptides with Cyclic Constraints Are Potent Glucagon-like Peptide-1 Receptor (GLP-1R) Agonists.
J.Med.Chem., 58, 2015
4WZ8
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BU of 4wz8 by Molmil
Crystal structure of human-yeast chimera acetyl coA carboxylase CT domain bound to Compound 6
分子名称: 1'-(2H-indazol-5-ylcarbonyl)-1-(propan-2-yl)-1,4-dihydrospiro[indazole-5,4'-piperidin]-7(6H)-one, Acetyl-CoA carboxylase
著者Vajdos, F.F.
登録日2014-11-18
公開日2014-12-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Decreasing the Rate of Metabolic Ketone Reduction in the Discovery of a Clinical Acetyl-CoA Carboxylase Inhibitor for the Treatment of Diabetes.
J.Med.Chem., 57, 2014
4WYO
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BU of 4wyo by Molmil
Crystal structure of human-yeast chimera acetyl coA carboxylase CT domain bound to Compound 1
分子名称: 2'-tert-butyl-1-(2H-indazol-5-ylcarbonyl)-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'H)-one, Acetyl-CoA carboxylase
著者Vajdos, F.F.
登録日2014-11-17
公開日2015-01-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Decreasing the Rate of Metabolic Ketone Reduction in the Discovery of a Clinical Acetyl-CoA Carboxylase Inhibitor for the Treatment of Diabetes.
J.Med.Chem., 57, 2014
7S15
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BU of 7s15 by Molmil
GLP-1 receptor bound with Pfizer small molecule agonist
分子名称: 2-[(4-{6-[(2,4-difluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1H-benzimidazole-6-carboxylic acid, Glucagon-like peptide 1 receptor
著者Liu, Y, Dias, J.M, Han, S.
登録日2021-09-01
公開日2022-06-08
最終更新日2022-07-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献A Small-Molecule Oral Agonist of the Human Glucagon-like Peptide-1 Receptor.
J.Med.Chem., 65, 2022
5CTC
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BU of 5ctc by Molmil
Humanized yeast ACC carboxyltransferase domain bound to tert-butyl 7-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
分子名称: Acetyl-CoA carboxylase, SULFATE ION, tert-butyl 7-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
著者Vajdos, F.F.
登録日2015-07-23
公開日2015-10-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of spirocyclic-diamine inhibitors of mammalian acetyl CoA-carboxylase.
Bioorg.Med.Chem.Lett., 25, 2015
5CTB
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BU of 5ctb by Molmil
Humanized yeast ACC carboxyltransferase domain bound to 6,7-dimethyl-1'-[(7-methyl-1H-indazol-5-yl)carbonyl]spiro[chromene-2,4'-piperidin]-4(3H)-one
分子名称: 6,7-dimethyl-1'-[(7-methyl-1H-indazol-5-yl)carbonyl]spiro[chromene-2,4'-piperidin]-4(3H)-one, Acetyl-CoA carboxylase, SULFATE ION
著者Vajdos, F.F.
登録日2015-07-23
公開日2015-10-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of spirocyclic-diamine inhibitors of mammalian acetyl CoA-carboxylase.
Bioorg.Med.Chem.Lett., 25, 2015
5CTE
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BU of 5cte by Molmil
Humanized yeast ACC carboxyltransferase domain bound to 2,2-dimethylpropyl (1S)-1-methyl-8-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
分子名称: 2,2-dimethylpropyl (1S)-1-methyl-8-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]decane-2-carboxylate, Acetyl-CoA carboxylase, SULFATE ION
著者Vajdos, F.F.
登録日2015-07-23
公開日2015-10-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Discovery of spirocyclic-diamine inhibitors of mammalian acetyl CoA-carboxylase.
Bioorg.Med.Chem.Lett., 25, 2015
4H1J
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BU of 4h1j by Molmil
Crystal structure of PYK2 with the pyrazole 13a
分子名称: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(4-methoxy-2-methylphenyl)-1H-pyrazol-5-yl]urea, Protein-tyrosine kinase 2-beta
著者Han, S.
登録日2012-09-10
公開日2012-11-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4H1M
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BU of 4h1m by Molmil
Crystal structure of PYK2 with the indole 10c
分子名称: 7-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)-N-(propan-2-yl)-1H-indole-2-carboxamide, Protein-tyrosine kinase 2-beta
著者Han, S.
登録日2012-09-10
公開日2012-11-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
2NAV
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BU of 2nav by Molmil
NMR solution structure of Ex-4[1-16]/pl14a
分子名称: Exendin-4, Alpha/kappa-conotoxin pl14a chimera
著者Schroeder, C.I, Swedberg, J.E, Craik, D.J.
登録日2016-01-11
公開日2016-05-04
最終更新日2016-08-17
実験手法SOLUTION NMR
主引用文献Truncated Glucagon-like Peptide-1 and Exendin-4 alpha-Conotoxin pl14a Peptide Chimeras Maintain Potency and alpha-Helicity and Reveal Interactions Vital for cAMP Signaling in Vitro.
J.Biol.Chem., 291, 2016
2NAW
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BU of 2naw by Molmil
NMR solution structure of Exendin-4/conotoxin chimera (Ex-4[1-27]/pl14a)
分子名称: Exendin-4, Alpha/kappa-conotoxin pl14a chimera
著者Schroeder, C.I, Swedberg, J.E, Craik, D.J.
登録日2016-01-12
公開日2016-05-18
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Truncated Glucagon-like Peptide-1 and Exendin-4 alpha-Conotoxin pl14a Peptide Chimeras Maintain Potency and alpha-Helicity and Reveal Interactions Vital for cAMP Signaling in Vitro.
J.Biol.Chem., 291, 2016

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件を2024-07-10に公開中

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