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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
3PWH
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THERMOSTABILISED ADENOSINE A2A RECEPTOR
Descriptor:Adenosine receptor A2a, 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:Dore, A.S., Robertson, N., Errey, J.C., Ng, I., Tehan, B., Hurrell, E., Magnani, F., Tate, C.G., Weir, M., Marshall, F.H.
Deposit date:2010-12-08
Release date:2011-09-07
Last modified:2012-06-20
Method:X-RAY DIFFRACTION (3.296 Å)
Cite:Structure of the adenosine A(2A) receptor in complex with ZM241385 and the xanthines XAC and caffeine
Structure, 19, 2011
3REY
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THERMOSTABILISED ADENOSINE A2A RECEPTOR IN COMPLEX WITH XAC
Descriptor:Adenosine receptor A2a, N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]acetamide
Authors:Dore, A.S., Robertson, N., Errey, J.C., Ng, I., Hollenstein, K., Tehan, B., Hurrell, E., Bennett, K., Congreve, M., Magnani, F., Tate, C.G., Weir, M., Marshall, F.H.
Deposit date:2011-04-05
Release date:2011-09-07
Last modified:2012-06-20
Method:X-RAY DIFFRACTION (3.309 Å)
Cite:Structure of the adenosine A(2A) receptor in complex with ZM241385 and the xanthines XAC and caffeine
Structure, 19, 2011
3RFM
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THERMOSTABILISED ADENOSINE A2A RECEPTOR IN COMPLEX WITH CAFFEINE
Descriptor:Adenosine receptor A2a, CAFFEINE
Authors:Dore, A.S., Robertson, N., Errey, J.C., Ng, I., Hollenstein, K., Tehan, B., Hurrell, E., Bennett, K., Congreve, M., Magnani, F., Tate, C.G., Weir, M., Marshall, F.H.
Deposit date:2011-04-06
Release date:2011-09-07
Last modified:2012-06-20
Method:X-RAY DIFFRACTION (3.598 Å)
Cite:Structure of the adenosine A(2A) receptor in complex with ZM241385 and the xanthines XAC and caffeine
Structure, 19, 2011
3UZA
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THERMOSTABILISED ADENOSINE A2A RECEPTOR IN COMPLEX WITH 6-(2,6-DIMETHYLPYRIDIN-4-YL)-5-PHENYL-1,2,4-TRIAZIN-3-AMINE
Descriptor:Adenosine receptor A2a, 6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine
Authors:Congreve, M., Andrews, S.P., Dore, A.S., Hollenstein, K., Hurrell, E., Langmead, C.J., Mason, J.S., Ng, I.W., Tehan, B., Zhukov, A., Weir, M., Marshall, F.H.
Deposit date:2011-12-07
Release date:2012-03-21
Method:X-RAY DIFFRACTION (3.273 Å)
Cite:Discovery of 1,2,4-Triazine Derivatives as Adenosine A(2A) Antagonists using Structure Based Drug Design
J.Med.Chem., 55, 2012
3UZC
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THERMOSTABILISED ADENOSINE A2A RECEPTOR IN COMPLEX WITH 4-(3-AMINO-5-PHENYL-1,2,4-TRIAZIN-6-YL)-2-CHLOROPHENOL
Descriptor:Adenosine A2A Receptor, 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol
Authors:Congreve, M., Andrews, S.P., Dore, A.S., Hollenstein, K., Hurrell, E., Langmead, C.J., Mason, J.S., Ng, I.W., Zhukov, A., Weir, M., Marshall, F.H.
Deposit date:2011-12-07
Release date:2012-03-21
Method:X-RAY DIFFRACTION (3.341 Å)
Cite:Discovery of 1,2,4-Triazine Derivatives as Adenosine A(2A) Antagonists using Structure Based Drug Design
J.Med.Chem., 55, 2012
4OO9
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STRUCTURE OF THE HUMAN CLASS C GPCR METABOTROPIC GLUTAMATE RECEPTOR 5 TRANSMEMBRANE DOMAIN IN COMPLEX WITH THE NEGATIVE ALLOSTERIC MODULATOR MAVOGLURANT
Descriptor:Metabotropic glutamate receptor 5, Lysozyme, Metabotropic glutamate receptor 5 chimera, ...
Authors:Dore, A.S., Okrasa, K., Patel, J.C., Serrano-Vega, M., Bennett, K., Cooke, R.M., Errey, J.C., Jazayeri, A., Khan, S., Tehan, B., Weir, M., Wiggin, G.R., Marshall, F.H.
Deposit date:2014-01-31
Release date:2014-07-02
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of class C GPCR metabotropic glutamate receptor 5 transmembrane domain.
Nature, 511, 2014
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
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
1QHR
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NOVEL COVALENT ACTIVE SITE THROMBIN INHIBITORS
Descriptor:ALPHA THROMBIN, HIRUGEN, 6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE
Authors:Jhoti, H., Cleasby, A., Reid, S., Thomas, P., Wonacott, A.
Deposit date:1999-05-26
Release date:2000-05-31
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of thrombin complexed to a novel series of synthetic inhibitors containing a 5,5-trans-lactone template.
Biochemistry, 38, 1999
1QJ1
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NOVEL COVALENT ACTIVE SITE THROMBIN INHIBITORS
Descriptor:THROMBIN, HIRUGEN, 6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID
Authors:Jhoti, H., Cleasby, A.
Deposit date:1999-06-21
Release date:2000-06-22
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template
Biochemistry, 38, 1999
1QJ6
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NOVEL COVALENT ACTIVE SITE THROMBIN INHIBITORS
Descriptor:THROMBIN, HIRUGEN, 6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID
Authors:Jhoti, H., Cleasby, A.
Deposit date:1999-06-22
Release date:2000-06-22
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template
Biochemistry, 38, 1999
1QJ7
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NOVEL COVALENT ACTIVE SITE THROMBIN INHIBITORS
Descriptor:THROMBIN, HIRUGEN, 6-CARBAMIMIDOYL-2-[5-(3-DIETHYLCARBAMOYL-PHENYL)-2-HYDROXY-INDAN-1-YL]-HEXANOIC ACID
Authors:Jhoti, H., Cleasby, A.
Deposit date:1999-06-22
Release date:2000-06-22
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template
Biochemistry, 38, 1999
5CGC
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STRUCTURE OF THE HUMAN CLASS C GPCR METABOTROPIC GLUTAMATE RECEPTOR 5 TRANSMEMBRANE DOMAIN IN COMPLEX WITH THE NEGATIVE ALLOSTERIC MODULATOR 3-CHLORO-4-FLUORO-5-[6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-YL]BENZONITRILE
Descriptor:Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, OLEIC ACID, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Christopher, J.A., Aves, S.J., Bennett, K.A., Dore, A.S., Errey, J.C., Jazayeri, A., Marshall, F.H., Okrasa, K., Serrano-Vega, M.J., Tehan, B.G., Wiggin, G.R., Congreve, M.
Deposit date:2015-07-09
Release date:2015-08-12
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile).
J.Med.Chem., 58, 2015
5CGD
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STRUCTURE OF THE HUMAN CLASS C GPCR METABOTROPIC GLUTAMATE RECEPTOR 5 TRANSMEMBRANE DOMAIN IN COMPLEX WITH THE NEGATIVE ALLOSTERIC MODULATOR 3-CHLORO-5-[6-(5-FLUOROPYRIDIN-2-YL)PYRIMIDIN-4-YL]BENZONITRILE - (HTL14242)
Descriptor:Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, OLEIC ACID, 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile
Authors:Christopher, J.A., Aves, S.J., Bennett, K.A., Dore, A.S., Errey, J.C., Jazayeri, A., Marshall, F.H., Okrasa, K., Serrano-Vega, M.J., Tehan, B.G., Wiggin, G.R., Congreve, M.
Deposit date:2015-07-09
Release date:2015-08-12
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile).
J.Med.Chem., 58, 2015
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