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4N6H
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1.8 A STRUCTURE OF THE HUMAN DELTA OPIOID 7TM RECEPTOR (PSI COMMUNITY TARGET)
Descriptor:Soluble cytochrome b562, Delta-type opioid receptor chimeric protein, OLEIC ACID, ...
Authors:Fenalti, G., Giguere, P.M., Katritch, V., Huang, X.-P., Thompson, A.A., Han, G.W., Cherezov, V., Roth, B.L., Stevens, R.C., GPCR Network (GPCR)
Deposit date:2013-10-12
Release date:2013-12-25
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular control of delta-opioid receptor signalling.
Nature, 506, 2014
4RWA
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SYNCHROTRON STRUCTURE OF THE HUMAN DELTA OPIOID RECEPTOR IN COMPLEX WITH A BIFUNCTIONAL PEPTIDE (PSI COMMUNITY TARGET)
Descriptor:Soluble cytochrome b562,Delta-type opioid receptor, bifunctional peptide, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Authors:Fenalti, G., Zatsepin, N.A., Betti, C., Giguere, P., Han, G.W., Ishchenko, A., Liu, W., Guillemyn, K., Zhang, H., James, D., Wang, D., Weierstall, U., Spence, J.C.H., Boutet, S., Messerschmidt, M., Williams, G.J., Gati, C., Yefanov, O.M., White, T.A., Oberthuer, D., Metz, M., Yoon, C.H., Barty, A., Chapman, H.N., Basu, S., Coe, J., Conrad, C.E., Fromme, R., Fromme, P., Tourwe, D., Schiller, P.W., Roth, B.L., Ballet, S., Katritch, V., Stevens, R.C., Cherezov, V., GPCR Network (GPCR)
Deposit date:2014-12-01
Release date:2015-01-14
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
4RWD
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XFEL STRUCTURE OF THE HUMAN DELTA OPIOID RECEPTOR IN COMPLEX WITH A BIFUNCTIONAL PEPTIDE
Descriptor:Soluble cytochrome b562,Delta-type opioid receptor, bifunctional peptide, OLEIC ACID, ...
Authors:Fenalti, G., Zatsepin, N.A., Betti, C., Giguere, P., Han, G.W., Ishchenko, A., Liu, W., Guillemyn, K., Zhang, H., James, D., Wang, D., Weierstall, U., Spence, J.C.H., Boutet, S., Messerschmidt, M., Williams, G.J., Gati, C., Yefanov, O.M., White, T.A., Oberthuer, D., Metz, M., Yoon, C.H., Barty, A., Chapman, H.N., Basu, S., Coe, J., Conrad, C.E., Fromme, R., Fromme, P., Tourwe, D., Schiller, P.W., Roth, B.L., Ballet, S., Katritch, V., Stevens, R.C., Cherezov, V., GPCR Network (GPCR)
Deposit date:2014-12-02
Release date:2015-01-14
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
2OKJ
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THE X-RAY CRYSTAL STRUCTURE OF THE 67KDA ISOFORM OF GLUTAMIC ACID DECARBOXYLASE (GAD67)
Descriptor:Glutamate decarboxylase 1, GAMMA-AMINO-BUTANOIC ACID, 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID
Authors:Buckle, A.M., Fenalti, G., Law, R.H.P., Whisstock, J.C.
Deposit date:2007-01-17
Release date:2007-03-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:GABA production by glutamic acid decarboxylase is regulated by a dynamic catalytic loop.
Nat.Struct.Mol.Biol., 14, 2007
2OKK
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THE X-RAY CRYSTAL STRUCTURE OF THE 65KDA ISOFORM OF GLUTAMIC ACID DECARBOXYLASE (GAD65)
Descriptor:Glutamate decarboxylase 2, GAMMA-AMINO-BUTANOIC ACID, GLYCEROL
Authors:Buckle, A.M., Fenalti, G., Law, R.H.P., Whisstock, J.C.
Deposit date:2007-01-17
Release date:2007-03-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:GABA production by glutamic acid decarboxylase is regulated by a dynamic catalytic loop.
Nat.Struct.Mol.Biol., 14, 2007
3NY9
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CRYSTAL STRUCTURE OF THE HUMAN BETA2 ADRENERGIC RECEPTOR IN COMPLEX WITH A NOVEL INVERSE AGONIST
Descriptor:Beta-2 adrenergic receptor, Lysozyme, CHOLESTEROL, ...
Authors:Fenalti, G., Wacker, D., Brown, M.A., Katritch, V., Abagyan, R., Cherezov, V., Stevens, R.C., Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
Deposit date:2010-07-14
Release date:2010-08-11
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Conserved Binding Mode of Human beta(2) Adrenergic Receptor Inverse Agonists and Antagonist Revealed by X-ray Crystallography
J.Am.Chem.Soc., 132, 2010
6N6O
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CRYSTAL STRUCTURE OF THE HUMAN TTK IN COMPLEX WITH AN INHIBITOR
Descriptor:Dual specificity protein kinase TTK, 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide, PENTAETHYLENE GLYCOL, ...
Authors:Fenalti, G.
Deposit date:2018-11-26
Release date:2019-05-15
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design and Optimization Leading to an Orally Active TTK Protein Kinase Inhibitor with Robust Single Agent Efficacy.
J.Med.Chem., 62, 2019
3JZ4
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CRYSTAL STRUCTURE OF E. COLI NADP DEPENDENT ENZYME
Descriptor:Succinate-semialdehyde dehydrogenase [NADP+], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Langendorf, C.G., Key, T.L.G., Fenalti, G., Kan, W.T., Buckle, A.M., Caradoc-Davies, T., Tuck, K.L., Law, R.H.P., Whisstock, J.C.
Deposit date:2009-09-22
Release date:2010-03-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The X-ray crystal structure of Escherichia coli succinic semialdehyde dehydrogenase; structural insights into NADP+/enzyme interactions.
Plos One, 5, 2010
3NY8
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CRYSTAL STRUCTURE OF THE HUMAN BETA2 ADRENERGIC RECEPTOR IN COMPLEX WITH THE INVERSE AGONIST ICI 118,551
Descriptor:Beta-2 adrenergic receptor, Lysozyme, CHOLESTEROL, ...
Authors:Wacker, D., Fenalti, G., Brown, M.A., Katritch, V., Abagyan, R., Cherezov, V., Stevens, R.C., Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
Deposit date:2010-07-14
Release date:2010-08-11
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Conserved Binding Mode of Human beta(2) Adrenergic Receptor Inverse Agonists and Antagonist Revealed by X-ray Crystallography
J.Am.Chem.Soc., 132, 2010
3NYA
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CRYSTAL STRUCTURE OF THE HUMAN BETA2 ADRENERGIC RECEPTOR IN COMPLEX WITH THE NEUTRAL ANTAGONIST ALPRENOLOL
Descriptor:Beta-2 adrenergic receptor, Lysozyme, CHOLESTEROL, ...
Authors:Brown, M.A., Wacker, D., Fenalti, G., Katritch, V., Abagyan, R., Cherezov, V., Stevens, R.C., GPCR Network (GPCR)
Deposit date:2010-07-14
Release date:2010-08-11
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Conserved Binding Mode of Human beta(2) Adrenergic Receptor Inverse Agonists and Antagonist Revealed by X-ray Crystallography
J.Am.Chem.Soc., 132, 2010
3VP6
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STRUCTURAL CHARACTERIZATION OF GLUTAMIC ACID DECARBOXYLASE; INSIGHTS INTO THE MECHANISM OF AUTOINACTIVATION
Descriptor:Glutamate decarboxylase 1, 4-oxo-4H-pyran-2,6-dicarboxylic acid, GLYCEROL
Authors:Langendorf, C.G., Tuck, K.L., Key, T.L.G., Rosado, C.J., Wong, A.S.M., Fenalti, G., Buckle, A.M., Law, R.H.P., Whisstock, J.C.
Deposit date:2012-02-27
Release date:2013-01-16
Last modified:2013-08-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of the mechanism through which human glutamic acid decarboxylase auto-activates
Biosci.Rep., 33, 2013
4MBS
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CRYSTAL STRUCTURE OF THE CCR5 CHEMOKINE RECEPTOR
Descriptor:Chimera protein of C-C chemokine receptor type 5 and Rubredoxin, 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide, ZINC ION, ...
Authors:Tan, Q., Zhu, Y., Han, G.W., Li, J., Fenalti, G., Liu, H., Cherezov, V., Stevens, R.C., GPCR Network (GPCR), Zhao, Q., Wu, B.
Deposit date:2013-08-19
Release date:2013-09-11
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex.
Science, 341, 2013
4NTJ
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STRUCTURE OF THE HUMAN P2Y12 RECEPTOR IN COMPLEX WITH AN ANTITHROMBOTIC DRUG
Descriptor:P2Y purinoceptor 12,Soluble cytochrome b562,P2Y purinoceptor 12, ethyl 6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyano-2-methylpyridine-3-carboxylate, CHOLESTEROL, ...
Authors:Zhang, K., Zhang, J., Gao, Z.-G., Zhang, D., Zhu, L., Han, G.W., Moss, S.M., Paoletta, S., Kiselev, E., Lu, W., Fenalti, G., Zhang, W., Muller, C.E., Yang, H., Jiang, H., Cherezov, V., Katritch, V., Jacobson, K.A., Stevens, R.C., Wu, B., Zhao, Q., GPCR Network (GPCR)
Deposit date:2013-12-02
Release date:2014-03-26
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structure of the human P2Y12 receptor in complex with an antithrombotic drug
Nature, 509, 2014
4RWS
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CRYSTAL STRUCTURE OF CXCR4 AND VIRAL CHEMOKINE ANTAGONIST VMIP-II COMPLEX (PSI COMMUNITY TARGET)
Descriptor:C-X-C chemokine receptor type 4/Endolysin chimeric protein, Viral macrophage inflammatory protein 2
Authors:Qin, L., Kufareva, I., Holden, L., Wang, C., Zheng, Y., Wu, H., Fenalti, G., Han, G.W., Cherezov, V., Abagyan, R., Stevens, R.C., Handel, T.M., GPCR Network (GPCR)
Deposit date:2014-12-05
Release date:2015-02-11
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural biology. Crystal structure of the chemokine receptor CXCR4 in complex with a viral chemokine.
Science, 347, 2015
3ODU
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THE 2.5 A STRUCTURE OF THE CXCR4 CHEMOKINE RECEPTOR IN COMPLEX WITH SMALL MOLECULE ANTAGONIST IT1T
Descriptor:C-X-C chemokine receptor type 4, Lysozyme Chimera, (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, ...
Authors:Wu, B., Mol, C.D., Han, G.W., Katritch, V., Chien, E.Y.T., Liu, W., Cherezov, V., Stevens, R.C., Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
Deposit date:2010-08-11
Release date:2010-10-27
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010
3OE0
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CRYSTAL STRUCTURE OF THE CXCR4 CHEMOKINE RECEPTOR IN COMPLEX WITH A CYCLIC PEPTIDE ANTAGONIST CVX15
Descriptor:C-X-C chemokine receptor type 4, Lysozyme Chimera, Polyphemusin analog, ...
Authors:Wu, B., Mol, C.D., Han, G.W., Katritch, V., Chien, E.Y.T., Liu, W., Cherezov, V., Stevens, R.C., Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
Deposit date:2010-08-12
Release date:2010-10-27
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010
3OE6
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CRYSTAL STRUCTURE OF THE CXCR4 CHEMOKINE RECEPTOR IN COMPLEX WITH A SMALL MOLECULE ANTAGONIST IT1T IN I222 SPACEGROUP
Descriptor:C-X-C chemokine receptor type 4, Lysozyme Chimera, (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, ...
Authors:Wu, B., Mol, C.D., Han, G.W., Katritch, V., Chien, E.Y.T., Liu, W., Cherezov, V., Stevens, R.C., Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
Deposit date:2010-08-12
Release date:2010-10-27
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010
3OE8
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CRYSTAL STRUCTURE OF THE CXCR4 CHEMOKINE RECEPTOR IN COMPLEX WITH A SMALL MOLECULE ANTAGONIST IT1T IN P1 SPACEGROUP
Descriptor:C-X-C chemokine receptor type 4, Lysozyme Chimera, (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate
Authors:Wu, B., Mol, C.D., Han, G.W., Katritch, V., Chien, E.Y.T., Liu, W., Cherezov, V., Stevens, R.C., Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
Deposit date:2010-08-12
Release date:2010-10-27
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010
3OE9
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CRYSTAL STRUCTURE OF THE CHEMOKINE CXCR4 RECEPTOR IN COMPLEX WITH A SMALL MOLECULE ANTAGONIST IT1T IN P1 SPACEGROUP
Descriptor:C-X-C chemokine receptor type 4, Lysozyme Chimera, (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate
Authors:Wu, B., Mol, C.D., Han, G.W., Katritch, V., Chien, E.Y.T., Liu, W., Cherezov, V., Stevens, R.C., Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
Deposit date:2010-08-12
Release date:2010-10-27
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010