Author results

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:2019-07-10
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:2019-05-22
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:2019-05-22
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:2019-05-22
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:2019-05-22
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:2019-05-22
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:2019-05-22
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:2019-05-22
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:2019-05-22
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:2019-02-13
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
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
5WF6
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AGONIST BOUND HUMAN A2A ADENOSINE RECEPTOR WITH S91A MUTATION AT 2.90 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 (2.9 Å)
Cite:Structural Connection between Activation Microswitch and Allosteric Sodium Site in GPCR Signaling.
Structure, 26, 2018
6BQG
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CRYSTAL STRUCTURE OF 5-HT2C IN COMPLEX WITH ERGOTAMINE
Descriptor:5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, Ergotamine, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Authors:Peng, Y., McCorvy, J.D., Harpsoe, K., Lansu, K., Yuan, S., Popov, P., Qu, L., Pu, M., Che, T., Nikolajse, L.F., Huang, X.P., Wu, Y., Shen, L., Bjorn-Yoshimoto, W.E., Ding, K., Wacker, D., Han, G.W., Cheng, J., Katritch, V., Jensen, A.A., Hanson, M.A., Zhao, S., Gloriam, D.E., Roth, B.L., Stevens, R.C., Liu, Z.
Deposit date:2017-11-27
Release date:2018-02-14
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.
Cell, 172, 2018
6BQH
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CRYSTAL STRUCTURE OF 5-HT2C IN COMPLEX WITH RITANSERIN
Descriptor:5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ...
Authors:Peng, Y., McCorvy, J.D., Harpsoe, K., Lansu, K., Yuan, S., Popov, P., Qu, L., Pu, M., Che, T., Nikolajse, L.F., Huang, X.P., Wu, Y., Shen, L., Bjorn-Yoshimoto, W.E., Ding, K., Wacker, D., Han, G.W., Cheng, J., Katritch, V., Jensen, A.A., Hanson, M.A., Zhao, S., Gloriam, D.E., Roth, B.L., Stevens, R.C., Liu, Z.
Deposit date:2017-11-27
Release date:2018-02-14
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.
Cell, 172, 2018
5YQZ
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STRUCTURE OF THE GLUCAGON RECEPTOR IN COMPLEX WITH A GLUCAGON ANALOGUE
Descriptor:Glucagon receptor,Endolysin,Glucagon receptor, Glucagon analogue, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Zhang, H., Qiao, A., Yang, L., VAN EPS, N., Frederiksen, K., Yang, D., Dai, A., Cai, X., Zhang, H., Yi, C., Can, C., He, L., Yang, H., Lau, J., Ernst, O., Hanson, M., Stevens, R., Wang, M., Seedtz-Runge, S., Jiang, H., Zhao, Q., Wu, B.
Deposit date:2017-11-08
Release date:2018-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the glucagon receptor in complex with a glucagon analogue.
Nature, 553, 2018
6B73
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CRYSTAL STRUCTURE OF A NANOBODY-STABILIZED ACTIVE STATE OF THE KAPPA-OPIOID RECEPTOR
Descriptor:Soluble cytochrome b562, kappa-type opioid receptor, Nanobody, ...
Authors:Che, T., Majumdar, S., Zaidi, S.A., Kormos, C., McCorvy, J.D., Wang, S., Mosier, P.D., Uprety, R., Vardy, E., Krumm, B.E., Han, G.W., Lee, M.Y., Pardon, E., Steyaert, J., Huang, X.P., Strachan, R.T., Tribo, A.R., Pasternak, G.W., Carroll, I.F., Stevens, R.C., Cherezov, V., Katritch, V., Wacker, D., Roth, B.L.
Deposit date:2017-10-03
Release date:2018-01-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor.
Cell, 172, 2018