Author results

6VUA
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X-RAY STRUCTURE OF HUMAN CD38 CATALYTIC DOMAIN WITH 2'-CL-ARANAD+
Descriptor:ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R})-4-chloranyl-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate, POTASSIUM ION, ...
Authors:Dai, Z., Zhang, X.N., Nasertorabi, F., Han, G.W., Stevens, R.C., Zhang, Y.
Deposit date:2020-02-14
Release date:2020-06-03
Last modified:2020-06-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Synthesis of site-specific antibody-drug conjugates by ADP-ribosyl cyclases.
Sci Adv, 6, 2020
6W25
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CRYSTAL STRUCTURE OF THE MELANOCORTIN-4 RECEPTOR (MC4R) IN COMPLEX WITH SHU9119
Descriptor:Melanocortin receptor 4,GlgA glycogen synthase,Melanocortin receptor 4, SHU9119, CALCIUM ION, ...
Authors:Yu, J., Gimenez, L.E., Hernandez, C.C., Wu, Y., Wein, A.H., Han, G.W., McClary, K., Mittal, S.R., Burdsall, K., Stauch, B., Wu, L., Stevens, S.N., Peisley, A., Williams, S.Y., Chen, V., Millhauser, G.L., Zhao, S., Cone, R.D., Stevens, R.C.
Deposit date:2020-03-04
Release date:2020-04-29
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Determination of the melanocortin-4 receptor structure identifies Ca2+as a cofactor for ligand binding.
Science, 368, 2020
6LN2
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CRYSTAL STRUCTURE OF FULL LENGTH HUMAN GLP1 RECEPTOR IN COMPLEX WITH FAB FRAGMENT (FAB7F38)
Descriptor:Glucagon-like peptide 1 receptor,Rubredoxin,Glucagon-like peptide 1 receptor, Fab7F38_light chain, Fab7F38_heavy chain, ...
Authors:Wu, F., Yang, L., Hang, K., Laursen, M., Wu, L., Han, G.W., Ren, Q., Roed, N.K., Lin, G., Hanson, M., Jiang, H., Wang, M., Reedtz-Runge, S., Song, G., Stevens, R.C.
Deposit date:2019-12-28
Release date:2020-03-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Full-length human GLP-1 receptor structure without orthosteric ligands.
Nat Commun, 11, 2020
6PT2
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CRYSTAL STRUCTURE OF THE ACTIVE DELTA OPIOID RECEPTOR IN COMPLEX WITH THE PEPTIDE AGONIST KGCHM07
Descriptor:Delta opioid receptor, Peptide agonist KGCHM07, CHOLESTEROL, ...
Authors:Claff, T., Yu, J., Blais, V., Patel, N., Martin, C., Wu, L., Han, G.W., Holleran, B.J., Van der Poorten, O., Hanson, M.A., Sarret, P., Gendron, L., Cherezov, V., Katritch, V., Ballet, S., Liu, Z., Muller, C.E., Stevens, R.C.
Deposit date:2019-07-14
Release date:2019-12-11
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Elucidating the active delta-opioid receptor crystal structure with peptide and small-molecule agonists.
Sci Adv, 5, 2019
6PT3
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CRYSTAL STRUCTURE OF THE ACTIVE DELTA OPIOID RECEPTOR IN COMPLEX WITH THE SMALL MOLECULE AGONIST DPI-287
Descriptor:Delta opioid receptor, 4-[(R)-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl](3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
Authors:Claff, T., Yu, J., Blais, V., Patel, N., Martin, C., Wu, L., Han, G.W., Holleran, B.J., Van der Poorten, O., Hanson, M.A., Sarret, P., Gendron, L., Cherezov, V., Katritch, V., Ballet, S., Liu, Z., Muller, C.E., Stevens, R.C.
Deposit date:2019-07-14
Release date:2019-12-11
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Elucidating the active delta-opioid receptor crystal structure with peptide and small-molecule agonists.
Sci Adv, 5, 2019
6MTG
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A SINGLE REACTIVE NONCANONICAL AMINO ACID IS ABLE TO DRAMATICALLY STABILIZE PROTEIN STRUCTURE
Descriptor:Homoserine O-succinyltransferase, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
Authors:Li, J.C., Nasertorabi, F., Xuan, W., Han, G.W., Stevens, R.C., Schultz, P.G.
Deposit date:2018-10-19
Release date:2019-06-26
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Single Reactive Noncanonical Amino Acid Is Able to Dramatically Stabilize Protein Structure.
Acs Chem.Biol., 14, 2019
6ME2
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XFEL CRYSTAL STRUCTURE OF HUMAN MELATONIN RECEPTOR MT1 IN COMPLEX WITH RAMELTEON
Descriptor:chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, OLEIC ACID, ...
Authors:Stauch, B., Johansson, L.C., McCorvy, J.D., Patel, N., Han, G.W., Gati, C., Batyuk, A., Ishchenko, A., Brehm, W., White, T.A., Michaelian, N., Madsen, C., Zhu, L., Grant, T.D., Grandner, J.M., Olsen, R.H.J., Tribo, A.R., Weierstall, U., Roth, B.L., Katritch, V., Liu, W., Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
6ME3
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XFEL CRYSTAL STRUCTURE OF HUMAN MELATONIN RECEPTOR MT1 IN COMPLEX WITH 2-PHENYLMELATONIN
Descriptor:chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, OLEIC ACID, ...
Authors:Stauch, B., Johansson, L.C., McCorvy, J.D., Patel, N., Han, G.W., Gati, C., Batyuk, A., Ishchenko, A., Brehm, W., White, T.A., Michaelian, N., Madsen, C., Zhu, L., Grant, T.D., Grandner, J.M., Olsen, R.H.J., Tribo, A.R., Weierstall, U., Roth, B.L., Katritch, V., Liu, W., Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
6ME4
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XFEL CRYSTAL STRUCTURE OF HUMAN MELATONIN RECEPTOR MT1 IN COMPLEX WITH 2-IODOMELATONIN
Descriptor:chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Stauch, B., Johansson, L.C., McCorvy, J.D., Patel, N., Han, G.W., Gati, C., Batyuk, A., Ishchenko, A., Brehm, W., White, T.A., Michaelian, N., Madsen, C., Zhu, L., Grant, T.D., Grandner, J.M., Olsen, R.H.J., Tribo, A.R., Weierstall, U., Roth, B.L., Katritch, V., Liu, W., Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
6ME5
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XFEL CRYSTAL STRUCTURE OF HUMAN MELATONIN RECEPTOR MT1 IN COMPLEX WITH AGOMELATINE
Descriptor:chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, ~{N}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide, OLEIC ACID
Authors:Stauch, B., Johansson, L.C., McCorvy, J.D., Patel, N., Han, G.W., Gati, C., Batyuk, A., Ishchenko, A., Brehm, W., White, T.A., Michaelian, N., Madsen, C., Zhu, L., Grant, T.D., Grandner, J.M., Olsen, R.H.J., Tribo, A.R., Weierstall, U., Roth, B.L., Katritch, V., Liu, W., Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
6ME6
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XFEL CRYSTAL STRUCTURE OF HUMAN MELATONIN RECEPTOR MT2 IN COMPLEX WITH 2-PHENYLMELATONIN
Descriptor:Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, ZINC ION, ...
Authors:Johansson, L.C., Stauch, B., McCorvy, J., Han, G.W., Patel, N., Batyuk, A., Gati, C., Li, C., Grandner, J., Hao, S., Olsen, R.H.J., Tribo, A.R., Zaare, S., Zhu, L., Zatsepin, N.A., Weierstall, U., Liu, W., Roth, B.L., Katritch, V., Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2020-04-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity.
Nature, 569, 2019
6ME7
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XFEL CRYSTAL STRUCTURE OF HUMAN MELATONIN RECEPTOR MT2 (H208A) IN COMPLEX WITH 2-PHENYLMELATONIN
Descriptor:Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, ZINC ION, ...
Authors:Johansson, L.C., Stauch, B., McCorvy, J., Han, G.W., Patel, N., Batyuk, A., Gati, C., Li, C., Grandner, J., Hao, S., Olsen, R.H.J., Tribo, A.R., Zaare, S., Zhu, L., Zatsepin, N.A., Weierstall, U., Liu, W., Roth, B.L., Katritch, V., Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2020-04-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity.
Nature, 569, 2019
6ME8
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XFEL CRYSTAL STRUCTURE OF HUMAN MELATONIN RECEPTOR MT2 (N86D) IN COMPLEX WITH 2-PHENYLMELATONIN
Descriptor:Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, ZINC ION
Authors:Johansson, L.C., Stauch, B., McCorvy, J., Han, G.W., Patel, N., Batyuk, A., Gati, C., Li, C., Grandner, J., Hao, S., Olsen, R.H.J., Tribo, A.R., Zaare, S., Zhu, L., Zatsepin, N.A., Weierstall, U., Liu, W., Roth, B.L., Katritch, V., Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2020-04-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity.
Nature, 569, 2019
6ME9
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XFEL CRYSTAL STRUCTURE OF HUMAN MELATONIN RECEPTOR MT2 IN COMPLEX WITH RAMELTEON
Descriptor:Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, ZINC ION
Authors:Johansson, L.C., Stauch, B., McCorvy, J., Han, G.W., Patel, N., Batyuk, A., Gati, C., Li, C., Grandner, J., Hao, S., Olsen, R.H.J., Tribo, A.R., Zaare, S., Zhu, L., Zatsepin, N.A., Weierstall, U., Liu, W., Roth, B.L., Katritch, V., Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2020-04-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity.
Nature, 569, 2019
6J20
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CRYSTAL STRUCTURE OF THE HUMAN NK1 SUBSTANCE P RECEPTOR
Descriptor:Substance-P receptor,Endolysin, 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
Authors:Chen, S., Lu, M., Zhang, H., Wu, B., Zhao, Q.
Deposit date:2018-12-30
Release date:2019-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography.
Nat Commun, 10, 2019
6J21
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CRYSTAL STRUCTURE OF THE HUMAN NK1 SUBSTANCE P RECEPTOR
Descriptor:Substance-P receptor,Endolysin, 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, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Authors:Chen, S., Lu, M., Zhang, H., Wu, B., Zhao, Q.
Deposit date:2018-12-30
Release date:2019-03-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography.
Nat Commun, 10, 2019
5ZTY
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CRYSTAL STRUCTURE OF HUMAN G PROTEIN COUPLED RECEPTOR
Descriptor:G protein coupled receptor,T4 lysozyme,G protein coupled receptor, N-(adamantan-1-yl)-1-(5-hydroxypentyl)-4-methyl-5-phenyl-1H-pyrazole-3-carboxamide, OLEIC ACID, ...
Authors:Li, X.T., Hua, T., Wu, L.J., Liu, Z.J.
Deposit date:2018-05-05
Release date:2019-01-30
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Human Cannabinoid Receptor CB2
Cell, 176, 2019
6M9T
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CRYSTAL STRUCTURE OF EP3 RECEPTOR BOUND TO MISOPROSTOL-FA
Descriptor:Prostaglandin E2 receptor EP3 subtype, Endolysin chimera, (11alpha,12alpha,13E,16S)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid, ...
Authors:Audet, M., White, K.L., Breton, B., Zarzycka, B., Han, G.W., Lu, Y., Gati, C., Batyuk, A., Popov, P., Velasquez, J., Manahan, D., Hu, H., Weierstall, U., Liu, W., Shui, W., Katrich, V., Cherezov, V., Hanson, M.A., Stevens, R.C.
Deposit date:2018-08-24
Release date:2018-12-05
Last modified:2020-04-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of misoprostol bound to the labor inducer prostaglandin E2receptor.
Nat. Chem. Biol., 15, 2019
6EDR
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CRYSTAL STRUCTURE OF HUMAN CD38 IN COMPLEX WITH 4'-THIORIBOSE NAD+
Descriptor:ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-yl)-3,4-bis(oxidanyl)thiolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Dai, Z., Zhang, X.N., Nasertorabi, F., Cheng, Q., Pei, H., Louie, S.G., Stevens, C.R., Zhang, Y.
Deposit date:2018-08-10
Release date:2018-11-21
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Facile chemoenzymatic synthesis of a novel stable mimic of NAD.
Chem Sci, 9, 2018
6BD4
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CRYSTAL STRUCTURE OF HUMAN APO-FRIZZLED4 RECEPTOR
Descriptor:Frizzled-4/Rubredoxin chimeric protein, ZINC ION, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ...
Authors:Yang, S., Wu, Y., Pu, M., Chen, Y., Dong, S., Guo, Y., Han, G.Y., Stevens, R.C., Zhao, S., Xu, F.
Deposit date:2017-10-21
Release date:2018-08-22
Last modified:2018-09-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the Frizzled 4 receptor in a ligand-free state.
Nature, 560, 2018
5ZKP
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CRYSTAL STRUCTURE OF THE HUMAN PLATELET-ACTIVATING FACTOR RECEPTOR IN COMPLEX WITH SR 27417
Descriptor:Platelet-activating factor receptor,Flavodoxin,Platelet-activating factor receptor, N1,N1-dimethyl-N2-[(pyridin-3-yl)methyl]-N2-{4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl}ethane-1,2-diamine, FLAVIN MONONUCLEOTIDE
Authors:Cao, C., Zhao, Q., Zhang, X.C., Wu, B.
Deposit date:2018-03-25
Release date:2018-06-20
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structural basis for signal recognition and transduction by platelet-activating-factor receptor.
Nat. Struct. Mol. Biol., 25, 2018
5ZKQ
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CRYSTAL STRUCTURE OF THE HUMAN PLATELET-ACTIVATING FACTOR RECEPTOR IN COMPLEX WITH ABT-491
Descriptor:Platelet-activating factor receptor,Endolysin,Endolysin,Platelet-activating factor receptor, 4-ethynyl-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-N,N-dimethyl-1H-indole-1-carboxamide, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ...
Authors:Cao, C., Zhao, Q., Zhang, X.C., Wu, B.
Deposit date:2018-03-25
Release date:2018-06-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for signal recognition and transduction by platelet-activating-factor receptor.
Nat. Struct. Mol. Biol., 25, 2018
5ZBH
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THE CRYSTAL STRUCTURE OF HUMAN NEUROPEPTIDE Y Y1 RECEPTOR WITH BMS-193885
Descriptor:Neuropeptide Y receptor type 1,T4 Lysozyme,Neuropeptide Y receptor type 1, dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)piperidin-1-yl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Authors:Yang, Z., Han, S., Zhao, Q., Wu, B.
Deposit date:2018-02-11
Release date:2018-04-25
Last modified:2018-05-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of ligand binding modes at the neuropeptide Y Y1receptor
Nature, 556, 2018
5ZBQ
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THE CRYSTAL STRUCTURE OF HUMAN NEUROPEPTIDE Y Y1 RECEPTOR WITH UR-MK299
Descriptor:Neuropeptide Y receptor type 1,T4 Lysozyme, N~2~-(diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]-N~5~-(N'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-D-ornithinamide
Authors:Yang, Z., Han, S., Zhao, Q., Wu, B.
Deposit date:2018-02-12
Release date:2018-04-25
Last modified:2018-05-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of ligand binding modes at the neuropeptide Y Y1receptor
Nature, 556, 2018
5WF5
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AGONIST BOUND HUMAN A2A ADENOSINE RECEPTOR WITH D52N MUTATION AT 2.60 A RESOLUTION
Descriptor:Human A2a adenosine receptor T4L 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:White, K.L., Eddy, M.T., Gao, Z., Han, G.W., Hanson, M.A., Lian, T., Deary, A., Patel, N., Jacobson, K.A., Katritch, V., Stevens, R.C.
Deposit date:2017-07-11
Release date:2018-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Connection between Activation Microswitch and Allosteric Sodium Site in GPCR Signaling.
Structure, 26, 2018
167327
數據於2020-08-05公開中