6H7M
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ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND PARTIAL AGONIST SALBUTAMOL AND NANOBODY NB6B9
Descriptor:Thioredoxin 1, Beta-1 adrenergic receptor, Camelid antibody fragment Nb6B9, ...
Authors:Warne, T., Edwards, P.C., Dore, A.S., Leslie, A.G.W., Tate, C.G.
Deposit date:2018-07-31
Release date:2018-10-17
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Molecular basis for high affinity agonist binding in GPCRs
Biorxiv, 2018
6H7N
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ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND PARTIAL AGONIST XAMOTEROL AND NANOBODY NB6B9
Descriptor:Thioredoxin 1, Beta-1 adrenergic receptor, Camelid antibody fragment Nb6B9, ...
Authors:Warne, T., Edwards, P.C., Dore, A.S., Leslie, A.G.W., Tate, C.G.
Deposit date:2018-07-31
Release date:2018-10-17
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis for high affinity agonist binding in GPCRs
Biorxiv, 2018
6H7O
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ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND WEAK PARTIAL AGONIST CYANOPINDOLOL AND NANOBODY NB6B9
Descriptor:Thioredoxin 1, Beta-1 adrenergic receptor, Camelid antibody fragment Nb6B9, ...
Authors:Warne, T., Edwards, P.C., Dore, A.S., Leslie, A.G.W., Tate, C.G.
Deposit date:2018-07-31
Release date:2018-10-17
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular basis for high affinity agonist binding in GPCRs
Biorxiv, 2018
6HLL
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CRYSTAL STRUCTURE OF THE NEUROKININ 1 RECEPTOR IN COMPLEX WITH THE SMALL MOLECULE ANTAGONIST CP-99,994
Descriptor:Substance-P receptor,GlgA glycogen synthase,Substance-P receptor, (2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine
Authors:Schoppe, J., Ehrenmann, J., Klenk, C., Rucktooa, P., Schutz, M., Dore, A.S., Pluckthun, A.
Deposit date:2018-09-11
Release date:2019-01-16
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists.
Nat Commun, 10, 2019
6HLO
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CRYSTAL STRUCTURE OF THE NEUROKININ 1 RECEPTOR IN COMPLEX WITH THE SMALL MOLECULE ANTAGONIST APREPITANT
Descriptor:Substance-P receptor,GlgA glycogen synthase,Substance-P receptor, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, CITRIC ACID, ...
Authors:Schoppe, J., Ehrenmann, J., Klenk, C., Rucktooa, P., Schutz, M., Dore, A.S., Pluckthun, A.
Deposit date:2018-09-11
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists.
Nat Commun, 10, 2019
6HLP
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CRYSTAL STRUCTURE OF THE NEUROKININ 1 RECEPTOR IN COMPLEX WITH THE SMALL MOLECULE ANTAGONIST NETUPITANT
Descriptor:Substance-P receptor,Substance-P receptor, 2-[3,5-bis(trifluoromethyl)phenyl]-~{N},2-dimethyl-~{N}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide, CITRIC ACID, ...
Authors:Schoppe, J., Ehrenmann, J., Klenk, C., Rucktooa, P., Schutz, M., Dore, A.S., Pluckthun, A.
Deposit date:2018-09-11
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists.
Nat Commun, 10, 2019
6IBL
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ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND AGONIST FORMOTEROL AND NANOBODY NB80
Descriptor:Thioredoxin 1,Beta-1 adrenergic receptor, Camelid antibody fragment Nb80, ~{N}-[5-[(1~{R})-2-[[(2~{R})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide, ...
Authors:Warne, T., Edwards, P.C., Dore, A.S., Leslie, A.G.W., Tate, C.G.
Deposit date:2018-11-30
Release date:2019-01-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis for high affinity agonist binding in GPCRs
To Be Published
6MEO
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STRUCTURAL BASIS OF CORECEPTOR RECOGNITION BY HIV-1 ENVELOPE SPIKE
Descriptor:Envelope glycoprotein gp160, T-cell surface glycoprotein CD4, C-C chemokine receptor type 5, ...
Authors:Shaik, M.M., Chen, B.
Deposit date:2018-09-06
Release date:2018-12-12
Last modified:2019-01-16
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of coreceptor recognition by HIV-1 envelope spike.
Nature, 565, 2018
2RH1
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HIGH RESOLUTION CRYSTAL STRUCTURE OF HUMAN B2-ADRENERGIC G PROTEIN-COUPLED RECEPTOR.
Descriptor:beta-2-adrenergic receptor/T4-lysozyme chimera, MALTOSE, SULFATE ION, ...
Authors:Cherezov, V., Rosenbaum, D.M., Hanson, M.A., Rasmussen, S.G.F., Thian, F.S., Kobilka, T.S., Choi, H.J., Kuhn, P., Weis, W.I., Kobilka, B.K., Stevens, R.C., Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
Deposit date:2007-10-05
Release date:2007-10-30
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor.
Science, 318, 2007
3D4S
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CHOLESTEROL BOUND FORM OF HUMAN BETA2 ADRENERGIC RECEPTOR.
Descriptor:Beta-2 adrenergic receptor/T4-lysozyme chimera, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, CHOLESTEROL, ...
Authors:Hanson, M.A., Cherezov, V., Roth, C.B., Griffith, M.T., Jaakola, V.-P., Chien, E.Y.T., Velasquez, J., Kuhn, P., Stevens, R.C., Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
Deposit date:2008-05-14
Release date:2008-06-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A specific cholesterol binding site is established by the 2.8 A structure of the human beta2-adrenergic receptor.
Structure, 16, 2008
3EML
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THE 2.6 A CRYSTAL STRUCTURE OF A HUMAN A2A ADENOSINE RECEPTOR BOUND TO ZM241385.
Descriptor:Human Adenosine A2A receptor/T4 lysozyme chimera, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, STEARIC ACID, ...
Authors:Jaakola, V.-P., Griffith, M.T., Hanson, M.A., Cherezov, V., Chien, E.Y.T., Lane, J.R., Ijzerman, A.P., Stevens, R.C., Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
Deposit date:2008-09-24
Release date:2008-10-14
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The 2.6 Angstrom Crystal Structure of a Human A2A Adenosine Receptor Bound to an Antagonist.
Science, 322, 2008
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
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
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
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
3P0G
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STRUCTURE OF A NANOBODY-STABILIZED ACTIVE STATE OF THE BETA2 ADRENOCEPTOR
Descriptor:Beta-2 adrenergic receptor, Lysozyme, Camelid Antibody Fragment, ...
Authors:Rasmussen, S.G.F., Choi, H.-J., Fung, J.J., Pardon, E., Casarosa, P., Chae, P.S., DeVree, B.T., Rosenbaum, D.M., Thian, F.S., Kobilka, T.S., Schnapp, A., Konetzki, I., Sunahara, R.K., Gellman, S.H., Pautsch, A., Steyaert, J., Weis, W.I., Kobilka, B.K.
Deposit date:2010-09-28
Release date:2011-01-19
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of a nanobody-stabilized active state of the b2 adrenoceptor
Nature, 469, 2011
3PBL
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STRUCTURE OF THE HUMAN DOPAMINE D3 RECEPTOR IN COMPLEX WITH ETICLOPRIDE
Descriptor:D(3) dopamine receptor, Lysozyme chimera, 3-chloro-5-ethyl-N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-6-hydroxy-2-methoxybenzamide, ...
Authors:Chien, E.Y.T., Liu, W., Han, G.W., Katritch, V., Zhao, Q., Cherezov, V., Stevens, R.C., Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
Deposit date:2010-10-20
Release date:2010-11-03
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure of the human dopamine d3 receptor in complex with a d2/d3 selective antagonist.
Science, 330, 2010
3PDS
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IRREVERSIBLE AGONIST-BETA2 ADRENOCEPTOR COMPLEX
Descriptor:Fusion protein Beta-2 adrenergic receptor/Lysozyme, 8-hydroxy-5-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin-2(1H)-one, CHOLESTEROL, ...
Authors:Rosenbaum, D.M., Zhang, C., Lyons, J.A., Holl, R., Aragao, D., Arlow, D.H., Rasmussen, S.G.F., Choi, H.-J., DeVree, B.T., Sunahara, R.K., Chae, P.S., Gellman, S.H., Dror, R.O., Shaw, D.E., Weis, W.I., Caffrey, M., Gmeiner, P., Kobilka, B.K.
Deposit date:2010-10-24
Release date:2011-01-12
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure and function of an irreversible agonist-beta(2) adrenoceptor complex
Nature, 469, 2011
3QAK
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AGONIST BOUND STRUCTURE OF THE HUMAN ADENOSINE A2A RECEPTOR
Descriptor:Adenosine receptor A2a,lysozyme chimera, 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Authors:Xu, F., Wu, H., Katritch, V., Han, G.W., Cherezov, V., Stevens, R., GPCR Network (GPCR)
Deposit date:2011-01-11
Release date:2011-03-09
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structure of an agonist-bound human A2A adenosine receptor.
Science, 332, 2011
3RZE
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STRUCTURE OF THE HUMAN HISTAMINE H1 RECEPTOR IN COMPLEX WITH DOXEPIN
Descriptor:Histamine H1 receptor, Lysozyme chimera, (3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine, ...
Authors:Shimamura, T., Han, G.W., Shiroishi, M., Weyand, S., Tsujimoto, H., Winter, G., Katritch, V., Abagyan, R., Cherezov, V., Liu, W., Kobayashi, T., Stevens, R., Iwata, S., GPCR Network (GPCR)
Deposit date:2011-05-11
Release date:2011-06-15
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the human histamine H1 receptor complex with doxepin.
Nature, 475, 2011
3SN6
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CRYSTAL STRUCTURE OF THE BETA2 ADRENERGIC RECEPTOR-GS PROTEIN COMPLEX
Descriptor:Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Rasmussen, S.G.F., DeVree, B.T., Zou, Y., Kruse, A.C., Chung, K.Y., Kobilka, T.S., Thian, F.S., Chae, P.S., Pardon, E., Calinski, D., Mathiesen, J.M., Shah, S.T.A., Lyons, J.A., Caffrey, M., Gellman, S.H., Steyaert, J., Skiniotis, G., Weis, W.I., Sunahara, R.K., Kobilka, B.K.
Deposit date:2011-06-28
Release date:2011-07-20
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of the beta2 adrenergic receptor-Gs protein complex
Nature, 477, 2011
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