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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
Descriptor: Short hydrophobic peptide with cyclic constraints
Authors: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.
Deposit date:2015-03-04
Release date:2015-04-15
Last modified:2015-05-27
Method:SOLUTION NMR
Cite:Short Hydrophobic Peptides with Cyclic Constraints Are Potent Glucagon-like Peptide-1 Receptor (GLP-1R) Agonists.
J.Med.Chem., 58, 2015
2N0N
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BU of 2n0n by Molmil
NMR solution structure for lactam (5,9) 11mer
Descriptor: lactam (5,9) 11mer peptide
Authors: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.
Deposit date:2015-03-10
Release date:2015-04-15
Last modified:2023-11-15
Method:SOLUTION NMR
Cite: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
Descriptor: Short hydrophobic peptide with cyclic constraints
Authors: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.
Deposit date:2015-03-04
Release date:2015-04-15
Last modified:2015-05-27
Method:SOLUTION NMR
Cite: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
Descriptor: di-sulfide 11mer peptide
Authors: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.
Deposit date:2015-03-09
Release date:2015-04-15
Last modified:2024-04-03
Method:SOLUTION NMR
Cite: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
Descriptor: 1'-(2H-indazol-5-ylcarbonyl)-1-(propan-2-yl)-1,4-dihydrospiro[indazole-5,4'-piperidin]-7(6H)-one, Acetyl-CoA carboxylase
Authors:Vajdos, F.F.
Deposit date:2014-11-18
Release date:2014-12-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite: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
Descriptor: 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
Authors:Vajdos, F.F.
Deposit date:2014-11-17
Release date:2015-01-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.89 Å)
Cite: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
Descriptor: 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
Authors:Liu, Y, Dias, J.M, Han, S.
Deposit date:2021-09-01
Release date:2022-06-08
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:A Small-Molecule Oral Agonist of the Human Glucagon-like Peptide-1 Receptor.
J.Med.Chem., 65, 2022
4H1M
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BU of 4h1m by Molmil
Crystal structure of PYK2 with the indole 10c
Descriptor: 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
Authors:Han, S.
Deposit date:2012-09-10
Release date:2012-11-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4H1J
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BU of 4h1j by Molmil
Crystal structure of PYK2 with the pyrazole 13a
Descriptor: 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
Authors:Han, S.
Deposit date:2012-09-10
Release date:2012-11-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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
Descriptor: Acetyl-CoA carboxylase, SULFATE ION, tert-butyl 7-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
Authors:Vajdos, F.F.
Deposit date:2015-07-23
Release date:2015-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 6,7-dimethyl-1'-[(7-methyl-1H-indazol-5-yl)carbonyl]spiro[chromene-2,4'-piperidin]-4(3H)-one, Acetyl-CoA carboxylase, SULFATE ION
Authors:Vajdos, F.F.
Deposit date:2015-07-23
Release date:2015-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 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
Authors:Vajdos, F.F.
Deposit date:2015-07-23
Release date:2015-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Discovery of spirocyclic-diamine inhibitors of mammalian acetyl CoA-carboxylase.
Bioorg.Med.Chem.Lett., 25, 2015
2NAW
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BU of 2naw by Molmil
NMR solution structure of Exendin-4/conotoxin chimera (Ex-4[1-27]/pl14a)
Descriptor: Exendin-4, Alpha/kappa-conotoxin pl14a chimera
Authors:Schroeder, C.I, Swedberg, J.E, Craik, D.J.
Deposit date:2016-01-12
Release date:2016-05-18
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
2NAV
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BU of 2nav by Molmil
NMR solution structure of Ex-4[1-16]/pl14a
Descriptor: Exendin-4, Alpha/kappa-conotoxin pl14a chimera
Authors:Schroeder, C.I, Swedberg, J.E, Craik, D.J.
Deposit date:2016-01-11
Release date:2016-05-04
Last modified:2016-08-17
Method:SOLUTION NMR
Cite: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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