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2N08
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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
2N09
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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
2N0I
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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: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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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: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
3HG1
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GERMLINE-GOVERNED RECOGNITION OF A CANCER EPITOPE BY AN IMMUNODOMINANT HUMAN T CELL RECEPTOR
Descriptor:MHC class I antigen, Beta-2-microglobulin, CANCER/MART-1, ...
Authors:Cole, D.K., Yuan, F., Rizkallah, P.J., Miles, J.J., Gostick, E., Price, D.A., Gao, G.F., Jakobsen, B.K., Sewell, A.K.
Deposit date:2009-05-13
Release date:2009-07-28
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Germ line-governed recognition of a cancer epitope by an immunodominant human T-cell receptor.
J.Biol.Chem., 284, 2009
3O4L
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GENETIC AND STRUCTURAL BASIS FOR SELECTION OF A UBIQUITOUS T CELL RECEPTOR DEPLOYED IN EPSTEIN-BARR VIRUS
Descriptor:MHC class I antigen, Beta-2-microglobulin, BSLF2/BMLF1 protein, ...
Authors:Miles, J.J., Bulek, A.M., Cole, D.K., Gostick, E., Schauenburg, J.A., Dolton, G., Venturi, V., Davenport, M.P., Tan, M.P., Burrows, S.R., Wooldridge, L., Price, D.A., Rizkallah, P.J., Sewell, A.K.
Deposit date:2010-07-27
Release date:2011-01-12
Last modified:2014-02-12
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Genetic and structural basis for selection of a ubiquitous T cell receptor deployed in Epstein-Barr virus infection.
Plos Pathog., 6, 2010
3RWC
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CRYSTAL STRUCTURE OF RHESUS MACAQUE MHC CLASS I MOLECULE MAMU-B*17-IW9
Descriptor:Major histocompatibility complex class I, Beta-2-microglobulin, Nef IW9 peptide from Protein Nef
Authors:Wu, Y., Gao, F., Liu, J., Qi, J.X., Price, D.A., Gao, G.F.
Deposit date:2011-05-09
Release date:2012-03-21
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Structural basis of diverse peptide accommodation by the rhesus macaque MHC class I molecule Mamu-B*17: insights into immune protection from simian immunodeficiency virus
J.Immunol., 187, 2011
3RWD
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RHESUS MACAQUE MHC CLASS I MOLECULE MAMU-B*17-IW11
Descriptor:Major histocompatibility complex class I, Beta-2-microglobulin, Nef IW11 peptide from Protein Nef
Authors:Wu, Y., Gao, F., Liu, J., Qi, J.X., Price, D.A., Gao, G.F.
Deposit date:2011-05-09
Release date:2012-03-21
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:Structural basis of diverse peptide accommodation by the rhesus macaque MHC class I molecule Mamu-B*17: insights into immune protection from simian immunodeficiency virus
J.Immunol., 187, 2011
3RWE
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RHESUS MACAQUE MHC CLASS I MOLECULE MAMU-B*17-FW9
Descriptor:Major histocompatibility complex class I, Beta-2-microglobulin, Pol FW9 peptide from Pol protein, ...
Authors:Wu, Y., Gao, F., Liu, J., Qi, J.X., Price, D.A., Gao, G.F.
Deposit date:2011-05-09
Release date:2012-03-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of diverse peptide accommodation by the rhesus macaque MHC class I molecule Mamu-B*17: insights into immune protection from simian immunodeficiency virus
J.Immunol., 187, 2011
3RWF
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RHESUS MACAQUE MHC CLASS I MOLECULE MAMU-B*17-QW9
Descriptor:Major histocompatibility complex class I, Beta-2-microglobulin, Nef QW9 peptide from Protein Nef
Authors:Wu, Y., Gao, F., Liu, J., Qi, J.X., Price, D.A., Gao, G.F.
Deposit date:2011-05-09
Release date:2012-03-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of diverse peptide accommodation by the rhesus macaque MHC class I molecule Mamu-B*17: insights into immune protection from simian immunodeficiency virus
J.Immunol., 187, 2011
3RWG
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RHESUS MACAQUE MHC CLASS I MOLECULE MAMU-B*17-MW9
Descriptor:Major histocompatibility complex class I, Beta-2-microglobulin, Nef MW9 peptide from Protein Nef, ...
Authors:Wu, Y., Gao, F., Liu, J., Qi, J.X., Price, D.A., Gao, G.F.
Deposit date:2011-05-09
Release date:2012-03-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of diverse peptide accommodation by the rhesus macaque MHC class I molecule Mamu-B*17: insights into immune protection from simian immunodeficiency virus
J.Immunol., 187, 2011
3RWH
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RHESUS MACAQUE MHC CLASS I MOLECULE MAMU-B*17-MF8
Descriptor:Major histocompatibility complex class I, Beta-2-microglobulin, Pol MF8 peptide from Pol protein
Authors:Wu, Y., Gao, F., Liu, J., Qi, J.X., Price, D.A., Gao, G.F.
Deposit date:2011-05-09
Release date:2012-03-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of diverse peptide accommodation by the rhesus macaque MHC class I molecule Mamu-B*17: insights into immune protection from simian immunodeficiency virus
J.Immunol., 187, 2011
3RWI
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RHESUS MACAQUE MHC CLASS I MOLECULE MAMU-B*17-GW10
Descriptor:Major histocompatibility complex class I, Beta-2-microglobulin, Vif GW10 peptide from Virion infectivity factor
Authors:Wu, Y., Gao, F., Liu, J., Qi, J.X., Price, D.A., Gao, G.F.
Deposit date:2011-05-09
Release date:2012-03-21
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Structural basis of diverse peptide accommodation by the rhesus macaque MHC class I molecule Mamu-B*17: insights into immune protection from simian immunodeficiency virus
J.Immunol., 187, 2011
3RWJ
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RHESUS MACAQUE MHC CLASS I MOLECULE MAMU-B*17-HW8
Descriptor:Major histocompatibility complex class I, Beta-2-microglobulin, Vif HW8 peptide from Virion infectivity factor
Authors:Wu, Y., Gao, F., Liu, J., Qi, J.X., Price, D.A., Gao, G.F.
Deposit date:2011-05-09
Release date:2012-03-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of diverse peptide accommodation by the rhesus macaque MHC class I molecule Mamu-B*17: insights into immune protection from simian immunodeficiency virus
J.Immunol., 187, 2011
4GKN
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A2-MHC COMPLEX CARRYING FATGIGIITV
Descriptor:HLA class I histocompatibility antigen, A-2 alpha chain, Beta-2-microglobulin, ...
Authors:Sewell, A.K., Rizkallah, P.J., Cole, D.K., Wooldridge, L., Price, D.A.
Deposit date:2012-08-13
Release date:2012-09-12
Last modified:2012-11-14
Method:X-RAY DIFFRACTION (2.753 Å)
Cite:T-cell Receptor-optimized Peptide Skewing of the T-cell Repertoire Can Enhance Antigen Targeting.
J.Biol.Chem., 287, 2012
4GKS
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A2-MHC COMPLEX CARRYING FLTGIGIITV
Descriptor:HLA class I histocompatibility antigen, A-2 alpha chain, Beta-2-microglobulin, ...
Authors:Sewell, A.K., Rizkallah, P.J., Cole, D.K., Wooldridge, L., Price, D.A.
Deposit date:2012-08-13
Release date:2012-09-12
Last modified:2012-11-14
Method:X-RAY DIFFRACTION (2.346 Å)
Cite:T-cell Receptor-optimized Peptide Skewing of the T-cell Repertoire Can Enhance Antigen Targeting.
J.Biol.Chem., 287, 2012
2NAV
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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
2NAW
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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: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
4H1J
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CRYSTAL STRUCTURE OF PYK2 WITH THE PYRAZOLE 13A
Descriptor:Protein-tyrosine kinase 2-beta, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(4-methoxy-2-methylphenyl)-1H-pyrazol-5-yl]urea
Authors:Han, S.
Deposit date:2012-09-10
Release date:2012-11-28
Last modified:2012-12-12
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
4H1M
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CRYSTAL STRUCTURE OF PYK2 WITH THE INDOLE 10C
Descriptor:Protein-tyrosine kinase 2-beta, 7-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)-N-(propan-2-yl)-1H-indole-2-carboxamide
Authors:Han, S.
Deposit date:2012-09-10
Release date:2012-11-28
Last modified:2012-12-12
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
4WYO
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CRYSTAL STRUCTURE OF HUMAN-YEAST CHIMERA ACETYL COA CARBOXYLASE CT DOMAIN BOUND TO COMPOUND 1
Descriptor:Acetyl-CoA carboxylase, 2'-tert-butyl-1-(2H-indazol-5-ylcarbonyl)-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'H)-one
Authors:Vajdos, F.F.
Deposit date:2014-11-17
Release date:2015-01-14
Last modified:2017-11-22
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
4WZ8
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CRYSTAL STRUCTURE OF HUMAN-YEAST CHIMERA ACETYL COA CARBOXYLASE CT DOMAIN BOUND TO COMPOUND 6
Descriptor:Acetyl-CoA carboxylase, 1'-(2H-indazol-5-ylcarbonyl)-1-(propan-2-yl)-1,4-dihydrospiro[indazole-5,4'-piperidin]-7(6H)-one
Authors:Vajdos, F.F.
Deposit date:2014-11-18
Release date:2014-12-10
Last modified:2017-11-22
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
5WBM
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STRUCTURE OF HUMAN KETOHEXOKINASE COMPLEXED WITH HITS FROM FRAGMENT SCREENING
Descriptor:Ketohexokinase, [(3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol, SULFATE ION
Authors:Pandit, J.
Deposit date:2017-06-29
Release date:2017-09-13
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
5WBO
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STRUCTURE OF HUMAN KETOHEXOKINASE COMPLEXED WITH HITS FROM FRAGMENT SCREENING
Descriptor:Ketohexokinase, 4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile, SULFATE ION, ...
Authors:Pandit, J.
Deposit date:2017-06-29
Release date:2017-09-13
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
5WBP
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STRUCTURE OF HUMAN KETOHEXOKINASE COMPLEXED WITH HITS FROM FRAGMENT SCREENING
Descriptor:Ketohexokinase, 3-(trifluoromethyl)quinoxalin-2(1H)-one, SULFATE ION, ...
Authors:Pandit, J.
Deposit date:2017-06-29
Release date:2017-09-13
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017