6LRY
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CRYSTAL STRUCTURE OF HUMAN ENDOTHELIN ETB RECEPTOR IN COMPLEX WITH SARAFOTOXIN S6B
Descriptor:Endothelin receptor type B,Endolysin,Endothelin receptor type B, Sarafotoxin-B
Authors:Izume, T., Miyauchi, H., Shihoya, W., Nureki, O.
Deposit date:2020-01-16
Release date:2020-02-12
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of human endothelin ETBreceptor in complex with sarafotoxin S6b.
Biochem.Biophys.Res.Commun., 2020
6TQ4
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CRYSTAL STRUCTURE OF THE OREXIN-1 RECEPTOR IN COMPLEX WITH COMPOUND 16
Descriptor:Orexin receptor type 1, 2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole, SULFATE ION, ...
Authors:Rappas, M., Ali, A., Bennett, K.A., Brown, J.D., Bucknell, S.J., Congreve, M., Cooke, R.M., Cseke, G., de Graaf, C., Dore, A.S., Errey, J.C., Jazayeri, A., Marshall, F.H., Mason, J.S., Mould, R., Patel, J.C., Tehan, B.G., Weir, M., Christopher, J.A.
Deposit date:2019-12-16
Release date:2020-01-01
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020
6TQ6
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CRYSTAL STRUCTURE OF THE OREXIN-1 RECEPTOR IN COMPLEX WITH COMPOUND 14
Descriptor:Orexin receptor type 1, 2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one, SULFATE ION, ...
Authors:Rappas, M., Ali, A., Bennett, K.A., Brown, J.D., Bucknell, S.J., Congreve, M., Cooke, R.M., Cseke, G., de Graaf, C., Dore, A.S., Errey, J.C., Jazayeri, A., Marshall, F.H., Mason, J.S., Mould, R., Patel, J.C., Tehan, B.G., Weir, M., Christopher, J.A.
Deposit date:2019-12-16
Release date:2020-01-01
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.546 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020
6TQ7
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CRYSTAL STRUCTURE OF THE OREXIN-1 RECEPTOR IN COMPLEX WITH SB-334867
Descriptor:Orexin receptor type 1, 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea, SULFATE ION, ...
Authors:Rappas, M., Ali, A., Bennett, K.A., Brown, J.D., Bucknell, S.J., Congreve, M., Cooke, R.M., Cseke, G., de Graaf, C., Dore, A.S., Errey, J.C., Jazayeri, A., Marshall, F.H., Mason, J.S., Mould, R., Patel, J.C., Tehan, B.G., Weir, M., Christopher, J.A.
Deposit date:2019-12-16
Release date:2020-01-01
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.6636 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020
6TQ9
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CRYSTAL STRUCTURE OF THE OREXIN-1 RECEPTOR IN COMPLEX WITH SB-408124
Descriptor:Orexin receptor type 1, 1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea, 2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL, ...
Authors:Rappas, M., Ali, A., Bennett, K.A., Brown, J.D., Bucknell, S.J., Congreve, M., Cooke, R.M., Cseke, G., de Graaf, C., Dore, A.S., Errey, J.C., Jazayeri, A., Marshall, F.H., Mason, J.S., Mould, R., Patel, J.C., Tehan, B.G., Weir, M., Christopher, J.A.
Deposit date:2019-12-16
Release date:2020-01-01
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.655 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020
6TPN
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CRYSTAL STRUCTURE OF THE OREXIN-2 RECEPTOR IN COMPLEX WITH HTL6641 AT 2.61 A RESOLUTION
Descriptor:Orexin receptor type 2,GlgA glycogen synthase,Orexin receptor type 2, 2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one, NITRATE ION, ...
Authors:Rappas, M., Ali, A., Bennett, K.A., Brown, J.D., Bucknell, S.J., Congreve, M., Cooke, R.M., Cseke, G., de Graaf, C., Dore, A.S., Errey, J.C., Jazayeri, A., Marshall, F.H., Mason, J.S., Mould, R., Patel, J.C., Tehan, B.G., Weir, M., Christopher, J.A.
Deposit date:2019-12-13
Release date:2020-01-01
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.608 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020
6TP3
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CRYSTAL STRUCTURE OF THE OREXIN-1 RECEPTOR IN COMPLEX WITH DARIDOREXANT
Descriptor:Orexin receptor type 1, [(2~{S})-2-(6-chloranyl-7-methyl-1~{H}-benzimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-[5-methoxy-2-(1,2,3-triazol-2-yl)phenyl]methanone, SULFATE ION, ...
Authors:Rappas, M., Ali, A., Bennett, K.A., Brown, J.D., Bucknell, S.J., Congreve, M., Cooke, R.M., Cseke, G., de Graaf, C., Dore, A.S., Errey, J.C., Jazayeri, A., Marshall, F.H., Mason, J.S., Mould, R., Patel, J.C., Tehan, B.G., Weir, M., Christopher, J.A.
Deposit date:2019-12-12
Release date:2020-01-01
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020
6TP4
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CRYSTAL STRUCTURE OF THE OREXIN-1 RECEPTOR IN COMPLEX WITH ACT-462206
Descriptor:Orexin receptor type 1, (2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide, 2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL, ...
Authors:Rappas, M., Ali, A., Bennett, K.A., Brown, J.D., Bucknell, S.J., Congreve, M., Cooke, R.M., Cseke, G., de Graaf, C., Dore, A.S., Errey, J.C., Jazayeri, A., Marshall, F.H., Mason, J.S., Mould, R., Patel, J.C., Tehan, B.G., Weir, M., Christopher, J.A.
Deposit date:2019-12-12
Release date:2020-01-01
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (3.011 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020
6TP6
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CRYSTAL STRUCTURE OF THE OREXIN-1 RECEPTOR IN COMPLEX WITH FILOREXANT
Descriptor:Orexin receptor type 1, [(2~{R},5~{R})-5-[(5-fluoranylpyridin-2-yl)oxymethyl]-2-methyl-piperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone, TETRAETHYLENE GLYCOL, ...
Authors:Rappas, M., Ali, A., Bennett, K.A., Brown, J.D., Bucknell, S.J., Congreve, M., Cooke, R.M., Cseke, G., de Graaf, C., Dore, A.S., Errey, J.C., Jazayeri, A., Marshall, F.H., Mason, J.S., Mould, R., Patel, J.C., Tehan, B.G., Weir, M., Christopher, J.A.
Deposit date:2019-12-12
Release date:2020-01-01
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.338 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020
6TO7
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CRYSTAL STRUCTURE OF THE OREXIN-1 RECEPTOR IN COMPLEX WITH SUVOREXANT AT 2.29 A RESOLUTION
Descriptor:Orexin receptor type 1, [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone, TETRAETHYLENE GLYCOL, ...
Authors:Rappas, M., Ali, A., Bennett, K.A., Brown, J.D., Bucknell, S.J., Congreve, M., Cooke, R.M., Cseke, G., de Graaf, C., Dore, A.S., Errey, J.C., Jazayeri, A., Marshall, F.H., Mason, J.S., Mould, R., Patel, J.C., Tehan, B.G., Weir, M., Christopher, J.A.
Deposit date:2019-12-11
Release date:2020-01-01
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020
6TOD
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CRYSTAL STRUCTURE OF THE OREXIN-1 RECEPTOR IN COMPLEX WITH EMPA
Descriptor:Orexin receptor type 1, N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide, SULFATE ION, ...
Authors:Rappas, M., Ali, A., Bennett, K.A., Brown, J.D., Bucknell, S.J., Congreve, M., Cooke, R.M., Cseke, G., de Graaf, C., Dore, A.S., Errey, J.C., Jazayeri, A., Marshall, F.H., Mason, J.S., Mould, R., Patel, J.C., Tehan, B.G., Weir, M., Christopher, J.A.
Deposit date:2019-12-11
Release date:2020-01-01
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020
6TOS
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CRYSTAL STRUCTURE OF THE OREXIN-1 RECEPTOR IN COMPLEX WITH GSK1059865
Descriptor:Orexin receptor type 1, [(2~{S},5~{S})-2-[[(5-bromanylpyridin-2-yl)amino]methyl]-5-methyl-piperidin-1-yl]-(3-fluoranyl-2-methoxy-phenyl)methanone, TETRAETHYLENE GLYCOL, ...
Authors:Rappas, M., Ali, A., Bennett, K.A., Brown, J.D., Bucknell, S.J., Congreve, M., Cooke, R.M., Cseke, G., de Graaf, C., Dore, A.S., Errey, J.C., Jazayeri, A., Marshall, F.H., Mason, J.S., Mould, R., Patel, J.C., Tehan, B.G., Weir, M., Christopher, J.A.
Deposit date:2019-12-11
Release date:2020-01-15
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020
6TOT
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CRYSTAL STRUCTURE OF THE OREXIN-1 RECEPTOR IN COMPLEX WITH LEMBOREXANT
Descriptor:Orexin receptor type 1, (1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide, TETRAETHYLENE GLYCOL, ...
Authors:Rappas, M., Ali, A., Bennett, K.A., Brown, J.D., Bucknell, S.J., Congreve, M., Cooke, R.M., Cseke, G., de Graaf, C., Dore, A.S., Errey, J.C., Jazayeri, A., Marshall, F.H., Mason, J.S., Mould, R., Patel, J.C., Tehan, B.G., Weir, M., Christopher, J.A.
Deposit date:2019-12-11
Release date:2020-01-15
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020
6KQI
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CRYSTAL STRUCTURE OF PROTEIN1
Descriptor:Cannabinoid receptor 1,GlgA glycogen synthase,Cannabinoid receptor 1, 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 5-chloro-3-ethyl-N-{2-[4-(piperidin-1-yl)phenyl]ethyl}-1H-indole-2-carboxamide, ...
Authors:Shao, Z.H., Yan, W.
Deposit date:2019-08-17
Release date:2019-10-23
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (3.245 Å)
Cite:Structure of an allosteric modulator bound to the CB1 cannabinoid receptor.
Nat.Chem.Biol., 15, 2019
6KPC
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CRYSTAL STRUCTURE OF AN AGONIST BOUND GPCR
Descriptor:Cannabinoid receptor 2,Endolysin,Cannabinoid receptor 2, (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol
Authors:Li, X.T., Hua, T., Wu, L.J., Makriyannis, A., Wu, M., Liu, Z.J.
Deposit date:2019-08-15
Release date:2020-02-12
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-GiComplex Structures.
Cell, 2020
6KPF
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CRYO-EM STRUCTURE OF A CLASS A GPCR WITH G PROTEIN COMPLEX
Descriptor:Guanine nucleotide-binding protein G(i) subunit alpha-1, 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:Li, X.T., Hua, T., Wu, L.J., Makriyannis, A., Shen, L., Wang, Y.X., Liu, Z.J.
Deposit date:2019-08-15
Release date:2020-02-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-GiComplex Structures.
Cell, 2020
6KPG
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CRYO-EM STRUCTURE OF CB1-G PROTEIN COMPLEX
Descriptor:Guanine nucleotide-binding protein G(i) subunit alpha-1, 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:Hua, T., Li, X.T., Wu, L.J., Makriyannis, A., Wang, Y.X., Shen, L., Liu, Z.J.
Deposit date:2019-08-15
Release date:2020-02-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-GiComplex Structures.
Cell, 2020
6KNM
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APELIN RECEPTOR IN COMPLEX WITH SINGLE DOMAIN ANTIBODY
Descriptor:Apelin receptor,Rubredoxin,Apelin receptor, Single domain antibody JN241, ZINC ION
Authors:Ma, Y.B., Ding, Y., Song, X., Ma, X., Li, X., Zhang, N., Song, Y., Sun, Y., Shen, Y., Zhong, W., Hu, L.A., Ma, Y.L., Zhang, M.Y.
Deposit date:2019-08-06
Release date:2020-01-29
Last modified:2020-02-12
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure-guided discovery of a single-domain antibody agonist against human apelin receptor.
Sci Adv, 6, 2020
6PWC
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A COMPLEX STRUCTURE OF ARRESTIN-2 BOUND TO NEUROTENSIN RECEPTOR 1
Descriptor:Neurotensin receptor type 1, Neurotensin peptide, Beta-arrestin-1, ...
Authors:Yin, W., Li, Z., Jin, M., Yin, Y.-L., de Waal, P.W., Pal, K., Gao, X., He, Y., Gao, J., Wang, X., Zhang, Y., Zhou, H., Melcher, K., Jiang, Y., Cong, Y., Zhou, X.E., Yu, X., Xu, H.E.
Deposit date:2019-07-22
Release date:2019-12-04
Last modified:2020-01-08
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:A complex structure of arrestin-2 bound to a G protein-coupled receptor.
Cell Res., 29, 2019
6PT0
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CRYO-EM STRUCTURE OF HUMAN CANNABINOID RECEPTOR 2-GI PROTEIN IN COMPLEX WITH AGONIST WIN 55,212-2
Descriptor:Cannabinoid receptor 2, Guanine nucleotide-binding protein G(i) subunit alpha-1, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, T.H., Xing, C., Zhuang, Y., Feng, Z., Zhou, X.E., Chen, M., Wang, L., Meng, X., Xue, Y., Wang, J., Liu, H., McGuire, T., Zhao, G., Melcher, K., Zhang, C., Xu, H.E., Xie, X.Q.
Deposit date:2019-07-14
Release date:2020-02-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM Structure of the Human Cannabinoid Receptor CB2-GiSignaling Complex.
Cell, 2020
6PRZ
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XFEL BETA2 AR STRUCTURE BY LIGAND EXCHANGE FROM ALPRENOLOL TO ALPRENOLOL.
Descriptor:Fusion protein of Beta-2 adrenergic receptor and T4 Lysozyme, (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, CHOLESTEROL, ...
Authors:Ishchenko, A., Stauch, B., Han, G.W., Batyuk, A., Shiriaeva, A., Li, C., Zatsepin, N.A., Weierstall, U., Liu, W., Nango, E., Nakane, T., Tanaka, R., Tono, K., Joti, Y., Iwata, S., Moraes, I., Gati, C., Cherezov, C.
Deposit date:2019-07-12
Release date:2019-11-13
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
6PS0
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XFEL BETA2 AR STRUCTURE BY LIGAND EXCHANGE FROM ALPRENOLOL TO CARAZOLOL.
Descriptor:Fusion protein of Beta-2 adrenergic receptor and T4 Lysozyme, (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, SULFATE ION, ...
Authors:Ishchenko, A., Stauch, B., Han, G.W., Batyuk, A., Shiriaeva, A., Li, C., Zatsepin, N.A., Weierstall, U., Liu, W., Nango, E., Nakane, T., Tanaka, R., Tono, K., Joti, Y., Iwata, S., Moraes, I., Gati, C., Cherezov, C.
Deposit date:2019-07-12
Release date:2019-11-13
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
6PS1
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XFEL BETA2 AR STRUCTURE BY LIGAND EXCHANGE FROM ALPRENOLOL TO TIMOLOL.
Descriptor:Fusion protein of Beta-2 adrenergic receptor and T4 lysozyme, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, SULFATE ION, ...
Authors:Ishchenko, A., Stauch, B., Han, G.W., Batyuk, A., Shiriaeva, A., Li, C., Zatsepin, N.A., Weierstall, U., Liu, W., Nango, E., Nakane, T., Tanaka, R., Tono, K., Joti, Y., Iwata, S., Moraes, I., Gati, C., Cherezov, C.
Deposit date:2019-07-12
Release date:2019-11-13
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
6PS2
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XFEL BETA2 AR STRUCTURE BY LIGAND EXCHANGE FROM TIMOLOL TO ALPRENOLOL.
Descriptor:Fusion protein of Beta-2 adrenergic receptor and T4 Lysozyme, (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, CHOLESTEROL, ...
Authors:Ishchenko, A., Stauch, B., Han, G.W., Batyuk, A., Shiriaeva, A., Li, C., Zatsepin, N.A., Weierstall, U., Liu, W., Nango, E., Nakane, T., Tanaka, R., Tono, K., Joti, Y., Iwata, S., Moraes, I., Gati, C., Cherezov, C.
Deposit date:2019-07-12
Release date:2019-11-13
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
6PS3
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XFEL BETA2 AR STRUCTURE BY LIGAND EXCHANGE FROM TIMOLOL TO CARVEDILOL.
Descriptor:Fusion protein of Beta-2 adrenergic receptor and T4 Lysozyme, (2S)-1-(8H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXYPHENOXY)ETHYLAMINO]PROPAN-2-OL, SULFATE ION, ...
Authors:Ishchenko, A., Stauch, B., Han, G.W., Batyuk, A., Shiriaeva, A., Li, C., Zatsepin, N.A., Weierstall, U., Liu, W., Nango, E., Nakane, T., Tanaka, R., Tono, K., Joti, Y., Iwata, S., Moraes, I., Gati, C., Cherezov, C.
Deposit date:2019-07-12
Release date:2019-11-13
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019