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5NX2
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CRYSTAL STRUCTURE OF THERMOSTABILISED FULL-LENGTH GLP-1R IN COMPLEX WITH A TRUNCATED PEPTIDE AGONIST AT 3.7 A RESOLUTION
Descriptor:Glucagon-like peptide 1 receptor, truncated peptide agonist, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Rappas, M., Jazayeri, A., Brown, A.J.H., Kean, J., Errey, J.C., Robertson, N., Fiez-Vandal, C., Andrews, S.P., Congreve, M., Bortolato, A., Mason, J.S., Baig, A.H., Teobald, I., Dore, A.S., Weir, M., Cooke, R.M., Marshall, F.H.
Deposit date:2017-05-09
Release date:2017-06-14
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Crystal structure of the GLP-1 receptor bound to a peptide agonist.
Nature, 546, 2017
5IU4
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CRYSTAL STRUCTURE OF STABILIZED A2A ADENOSINE RECEPTOR A2AR-STAR2-BRIL IN COMPLEX WITH ZM241385 AT 1.7A RESOLUTION
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, SODIUM ION, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Segala, E., Guo, D., Cheng, R.K.Y., Bortolato, A., Deflorian, F., Dore, A.S., Errey, J.C., Heitman, L.H., Ijzerman, A.P., Marshall, F.H., Cooke, R.M.
Deposit date:2016-03-17
Release date:2016-06-29
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
5IU7
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CRYSTAL STRUCTURE OF STABILIZED A2A ADENOSINE RECEPTOR A2AR-STAR2-BRIL IN COMPLEX WITH COMPOUND 12C AT 1.9A RESOLUTION
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, SODIUM ION, 2-(furan-2-yl)-N~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine, ...
Authors:Segala, E., Guo, D., Cheng, R.K.Y., Bortolato, A., Deflorian, F., Dore, A.S., Errey, J.C., Heitman, L.H., Ijzerman, A.P., Marshall, F.H., Cooke, R.M.
Deposit date:2016-03-17
Release date:2016-06-29
Last modified:2016-07-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
5IU8
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CRYSTAL STRUCTURE OF STABILIZED A2A ADENOSINE RECEPTOR A2AR-STAR2-BRIL IN COMPLEX WITH COMPOUND 12F AT 2.0A RESOLUTION
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, SODIUM ION, 2-(furan-2-yl)-N~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine, ...
Authors:Segala, E., Guo, D., Cheng, R.K.Y., Bortolato, A., Deflorian, F., Dore, A.S., Errey, J.C., Heitman, L.H., Ijzerman, A.P., Marshall, F.H., Cooke, R.M.
Deposit date:2016-03-17
Release date:2016-06-29
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
5IUA
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CRYSTAL STRUCTURE OF STABILIZED A2A ADENOSINE RECEPTOR A2AR-STAR2-BRIL IN COMPLEX WITH COMPOUND 12B AT 2.2A RESOLUTION
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, SODIUM ION, 2-(furan-2-yl)-N~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine, ...
Authors:Segala, E., Guo, D., Cheng, R.K.Y., Bortolato, A., Deflorian, F., Dore, A.S., Errey, J.C., Heitman, L.H., Ijzerman, A.P., Marshall, F.H., Cooke, R.M.
Deposit date:2016-03-17
Release date:2016-06-29
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
5IUB
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CRYSTAL STRUCTURE OF STABILIZED A2A ADENOSINE RECEPTOR A2AR-STAR2-BRIL IN COMPLEX WITH COMPOUND 12X AT 2.1A RESOLUTION
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, SODIUM ION, N~5~-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-2-(furan-2-yl)[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine, ...
Authors:Segala, E., Guo, D., Cheng, R.K.Y., Bortolato, A., Deflorian, F., Dore, A.S., Errey, J.C., Heitman, L.H., Ijzerman, A.P., Marshall, F.H., Cooke, R.M.
Deposit date:2016-03-17
Release date:2016-06-29
Last modified:2016-07-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
5EE7
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CRYSTAL STRUCTURE OF THE HUMAN GLUCAGON RECEPTOR (GCGR) IN COMPLEX WITH THE ANTAGONIST MK-0893
Descriptor:Glucagon receptor,Endolysin,Glucagon receptor, 3-[[4-[(1~{S})-1-[3-[3,5-bis(chloranyl)phenyl]-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid, OLEIC ACID, ...
Authors:Jazayeri, A., Dore, A.S., Lamb, D., Krishnamurthy, H., Southall, S.M., Baig, A.H., Bortolato, A., Koglin, M., Robertson, N.J., Errey, J.C., Andrews, S.P., Brown, A.J.H., Cooke, R.M., Weir, M., Marshall, F.H.
Deposit date:2015-10-22
Release date:2016-04-20
Last modified:2016-05-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Extra-helical binding site of a glucagon receptor antagonist.
Nature, 533, 2016
4Z9G
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CRYSTAL STRUCTURE OF HUMAN CORTICOTROPIN-RELEASING FACTOR RECEPTOR 1 (CRF1R) IN COMPLEX WITH THE ANTAGONIST CP-376395 IN A HEXAGONAL SETTING WITH TRANSLATIONAL NON-CRYSTALLOGRAPHIC SYMMETRY
Descriptor:Corticotropin-releasing factor receptor 1,Lysozyme,Corticotropin-releasing factor receptor 1, OLEIC ACID, 3,6-dimethyl-N-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine, ...
Authors:Dore, A.S., Bortolato, A., Hollenstein, K., Cheng, R.K.Y., Read, R.J., Marshall, F.H.
Deposit date:2015-04-10
Release date:2016-06-29
Last modified:2017-12-06
Method:X-RAY DIFFRACTION (3.183 Å)
Cite:Decoding Corticotropin-Releasing Factor Receptor Type 1 Crystal Structures.
Curr Mol Pharmacol, 10, 2017
4K5Y
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CRYSTAL STRUCTURE OF HUMAN CORTICOTROPIN-RELEASING FACTOR RECEPTOR 1 (CRF1R) IN COMPLEX WITH THE ANTAGONIST CP-376395
Descriptor:Corticotropin-releasing factor receptor 1, T4-Lysozyme chimeric construct, 3,6-dimethyl-N-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine, ...
Authors:Hollenstein, K., Kean, J., Bortolato, A., Cheng, R.K.Y., Dore, A.S., Jazayeri, A., Cooke, R.M., Weir, M., Marshall, F.H.
Deposit date:2013-04-15
Release date:2013-07-17
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.977 Å)
Cite:Structure of class B GPCR corticotropin-releasing factor receptor 1.
Nature, 499, 2013
3KXG
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CRYSTAL STRUCTURE OF Z. MAYS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE INHIBITOR 3,4,5,6,7-PENTABROMO-1H-INDAZOLE (K64)
Descriptor:Casein kinase II subunit alpha, 3,4,5,6,7-pentabromo-1H-indazole
Authors:Papinutto, E., Franchin, C., Battistutta, R.
Deposit date:2009-12-03
Release date:2010-11-17
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
3KXH
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CRYSTAL STRUCTURE OF Z. MAYS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE INHIBITOR (2-DYMETHYLAMMINO-4,5,6,7-TETRABROMOBENZOIMIDAZOL-1YL-ACETIC ACID (K66)
Descriptor:Casein kinase II subunit alpha, [4,5,6,7-tetrabromo-2-(dimethylamino)-1H-benzimidazol-1-yl]acetic acid, DI(HYDROXYETHYL)ETHER
Authors:Papinutto, E., Franchin, C., Battistutta, R.
Deposit date:2009-12-03
Release date:2010-11-17
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
3KXM
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CRYSTAL STRUCTURE OF Z. MAYS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE INHIBITOR K74
Descriptor:Casein kinase II subunit alpha, N-methyl-2-[(4,5,6,7-tetrabromo-1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
Authors:Papinutto, E., Franchin, C., Battistutta, R.
Deposit date:2009-12-03
Release date:2010-11-17
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
3KXN
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CRYSTAL STRUCTURE OF Z. MAYS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE INHIBITOR TETRAIODOBENZIMIDAZOLE (K88)
Descriptor:Casein kinase II subunit alpha, 4,5,6,7-tetraiodo-1H-benzimidazole
Authors:Papinutto, E., Franchin, C., Battistutta, R.
Deposit date:2009-12-03
Release date:2010-11-17
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
2QC6
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PROTEIN KINASE CK2 IN COMPLEX WITH DBC
Descriptor:Casein kinase II subunit alpha, 3,8-DIBROMO-7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE
Authors:Battistutta, R.
Deposit date:2007-06-19
Release date:2008-02-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Coumarin as attractive casein kinase 2 (CK2) inhibitor scaffold: an integrate approach to elucidate the putative binding motif and explain structure-activity relationships.
J.Med.Chem., 51, 2008
2OXX
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PROTEIN KINASE CK2 IN COMPLEX WITH TETRABROMOBENZOIMIDAZOLE DERIVATIVES K17, K22 AND K32
Descriptor:Casein kinase II subunit alpha, 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-THIONE
Authors:Battistutta, R., Zanotti, G., Cendron, L.
Deposit date:2007-02-21
Release date:2007-09-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The ATP-Binding Site of Protein Kinase CK2 Holds a Positive Electrostatic Area and Conserved Water Molecules.
Chembiochem, 8, 2007
2OXY
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PROTEIN KINASE CK2 IN COMPLEX WITH TETRABROMOBENZOIMIDAZOLE DERIVATIVES K17, K22 AND K32
Descriptor:Casein kinase II subunit alpha, 4,5,6,7-TETRABROMO-BENZIMIDAZOLE
Authors:Battistutta, R., Zanotti, G., Cendron, L.
Deposit date:2007-02-21
Release date:2007-09-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.812 Å)
Cite:The ATP-Binding Site of Protein Kinase CK2 Holds a Positive Electrostatic Area and Conserved Water Molecules.
Chembiochem, 8, 2007
2OXD
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PROTEIN KINASE CK2 IN COMPLEX WITH TETRABROMOBENZOIMIDAZOLE K17, K22 AND K32 INHIBITORS
Descriptor:Casein kinase II subunit alpha, 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-ONE
Authors:Battistutta, R., Zanotti, G., Cendron, L.
Deposit date:2007-02-20
Release date:2007-09-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The ATP-Binding Site of Protein Kinase CK2 Holds a Positive Electrostatic Area and Conserved Water Molecules.
Chembiochem, 8, 2007