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7S8N
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BU of 7s8n by Molmil
CryoEM structure of Gq-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573
Descriptor: (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L.
Deposit date:2021-09-18
Release date:2021-11-17
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
5K2D
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BU of 5k2d by Molmil
1.9A angstrom A2a adenosine receptor structure with MR phasing using XFEL data
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2016-05-18
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
5K2B
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BU of 5k2b by Molmil
2.5 angstrom A2a adenosine receptor structure with MR phasing using XFEL data
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2016-05-18
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
7RYC
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BU of 7ryc by Molmil
Oxytocin receptor (OTR) bound to oxytocin in complex with a heterotrimeric Gq protein
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(i) subunit alpha-2,Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Meyerowitz, J.G, Robertson, M.J, Skiniotis, G.
Deposit date:2021-08-24
Release date:2022-03-09
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The oxytocin signaling complex reveals a molecular switch for cation dependence.
Nat.Struct.Mol.Biol., 29, 2022
5K2C
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BU of 5k2c by Molmil
1.9 angstrom A2a adenosine receptor structure with sulfur SAD phasing and phase extension using XFEL data
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, ...
Authors:Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2016-05-18
Release date:2016-09-21
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
7SCG
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BU of 7scg by Molmil
FH210 bound Mu Opioid Receptor-Gi Protein Complex
Descriptor: (2E)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(naphthalen-1-yl)prop-2-enamide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, H, Kobilka, B.
Deposit date:2021-09-28
Release date:2022-04-20
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure-Based Evolution of G Protein-Biased mu-Opioid Receptor Agonists.
Angew.Chem.Int.Ed.Engl., 61, 2022
7SBF
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BU of 7sbf by Molmil
PZM21 bound Mu Opioid Receptor-Gi Protein Complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Huang, W, Qu, Q, Wang, H, Skiniotis, G, Kobilka, B.
Deposit date:2021-09-24
Release date:2022-04-20
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure-Based Evolution of G Protein-Biased mu-Opioid Receptor Agonists.
Angew.Chem.Int.Ed.Engl., 61, 2022
5KW2
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BU of 5kw2 by Molmil
The extra-helical binding site of GPR40 and the structural basis for allosteric agonism and incretin stimulation
Descriptor: (3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid, Free fatty acid receptor 1,Lysozyme,Free fatty acid receptor 1
Authors:Ho, J.D, Chau, B, Rodgers, L, Lu, F, Wilbur, K.L, Otto, K.A, Chen, Y, Song, M, Riley, J.P, Yang, H.-C, Reynolds, N.A, Kahl, S.D, Lewis, A.P, Groshong, C, Madsen, R.E, Conners, K, Linswala, J.P, Gheyi, T, Saflor, M.D, Lee, M.R, Benach, J, Baker, K.A, Montrose-Rafizadeh, C, Genin, M.J, Miller, A.R, Hamdouchi, C.
Deposit date:2016-07-15
Release date:2018-05-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structural basis for GPR40 allosteric agonism and incretin stimulation.
Nat Commun, 9, 2018
5JTB
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BU of 5jtb by Molmil
Crystal structure of the chimeric protein of A2aAR-BRIL with bound iodide ions
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Melnikov, I, Polovinkin, V, Shevtsov, M, Borshchevskiy, V, Cherezov, V, Popov, A, Gordeliy, V.
Deposit date:2016-05-09
Release date:2017-05-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Fast iodide-SAD phasing for high-throughput membrane protein structure determination.
Sci Adv, 3, 2017
5JQH
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BU of 5jqh by Molmil
Structure of beta2 adrenoceptor bound to carazolol and inactive-state stabilizing nanobody, Nb60
Descriptor: (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, CHOLESTEROL, Endolysin,Beta-2 adrenergic receptor, ...
Authors:Staus, D.P, Strachan, R.T, Manglik, A, Pani, B, Kahsai, A.W, Kim, T.H, Wingler, L.M, Ahn, S, Chatterjee, A, Masoudi, A, Kruse, A.C, Pardon, E, Steyaert, J, Weis, W.I, Prosser, R.S, Kobilka, B.K, Costa, T, Lefkowitz, R.J.
Deposit date:2016-05-05
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Allosteric nanobodies reveal the dynamic range and diverse mechanisms of G-protein-coupled receptor activation.
Nature, 535, 2016
5K2A
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BU of 5k2a by Molmil
2.5 angstrom A2a adenosine receptor structure with sulfur SAD phasing using XFEL data
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, ...
Authors:Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2016-05-18
Release date:2016-09-21
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
5IUB
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BU of 5iub by Molmil
Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12x at 2.1A resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ...
Authors:Segala, E, Guo, D, Cheng, R.K.Y, Bortolato, A, Deflorian, F, Dore, A.S, Errey, J.C, Heitman, L.H, Ijzerman, A.P, Marshall, F.H, Cooke, R.M.
Deposit date:2016-03-17
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
5IU7
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BU of 5iu7 by Molmil
Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12c at 1.9A resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(furan-2-yl)-N~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine, ...
Authors:Segala, E, Guo, D, Cheng, R.K.Y, Bortolato, A, Deflorian, F, Dore, A.S, Errey, J.C, Heitman, L.H, Ijzerman, A.P, Marshall, F.H, Cooke, R.M.
Deposit date:2016-03-17
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
4PXZ
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BU of 4pxz by Molmil
Crystal structure of P2Y12 receptor in complex with 2MeSADP
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate), CHOLESTEROL, ...
Authors:Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, 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:2014-03-25
Release date:2014-04-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Agonist-bound structure of the human P2Y12 receptor
Nature, 509, 2014
5DGY
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BU of 5dgy by Molmil
Crystal structure of rhodopsin bound to visual arrestin
Descriptor: Endolysin,Rhodopsin,S-arrestin
Authors:Zhou, X.E, Gao, X, Kang, Y, He, Y, de Waal, P.W, Suino-Powell, K.M, Wang, M, Melcher, K, Xu, H.E.
Deposit date:2015-08-28
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (7.7 Å)
Cite:X-ray laser diffraction for structure determination of the rhodopsin-arrestin complex.
Sci Data, 3, 2016
5DHG
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BU of 5dhg by Molmil
The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with C-35 (PSI Community Target)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-benzyl-N-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-D-prolinamide, OLEIC ACID, ...
Authors:Miller, R.L, Thompson, A.A, Trapella, C, Guerrini, R, Malfacini, D, Patel, N, Han, G.W, Cherezov, V, Calo, G, Katritch, V, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2015-08-30
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Importance of Ligand-Receptor Conformational Pairs in Stabilization: Spotlight on the N/OFQ G Protein-Coupled Receptor.
Structure, 23, 2015
4QKX
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BU of 4qkx by Molmil
Structure of beta2 adrenoceptor bound to a covalent agonist and an engineered nanobody
Descriptor: 4-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol, Beta-2 adrenergic receptor, R9 protein, ...
Authors:Weichert, D, Kruse, A.C, Manglik, A, Hiller, C, Zhang, C, Huebner, H, Kobilka, B.K, Gmeiner, P.
Deposit date:2014-06-10
Release date:2014-07-23
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Covalent agonists for studying G protein-coupled receptor activation.
Proc.Natl.Acad.Sci.USA, 111, 2014
5D5B
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BU of 5d5b by Molmil
In meso X-ray crystallography structure of the Beta2-adrenergic receptor at 100 K
Descriptor: (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, ACETAMIDE, ...
Authors:Huang, C.-Y, Olieric, V, Liu, X, Kobilka, B, Wang, M, Caffrey, M.
Deposit date:2015-08-10
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
5D6L
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BU of 5d6l by Molmil
beta2AR-T4L - CIM
Descriptor: (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, ACETAMIDE, ...
Authors:Ma, P, Caffrey, M.
Deposit date:2015-08-12
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The cubicon method for concentrating membrane proteins in the cubic mesophase.
Nat Protoc, 12, 2017
5EN0
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BU of 5en0 by Molmil
Crystal Structure of T94I rhodopsin mutant
Descriptor: ACETATE ION, Guanine nucleotide-binding protein G(t) subunit alpha-3, PALMITIC ACID, ...
Authors:Singhal, A, Guo, Y, Matkovic, M, Schertler, G, Deupi, X, Yan, E, Standfuss, J.
Deposit date:2015-11-08
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structural role of the T94I rhodopsin mutation in congenital stationary night blindness.
Embo Rep., 17, 2016
5DYS
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BU of 5dys by Molmil
Crystal Structure of T94I rhodopsin mutant
Descriptor: ACETATE ION, PALMITIC ACID, RETINAL, ...
Authors:Singhal, A, Guo, Y, Matkovic, M, Schertler, G, Deupi, X, Yan, E, Standfuss, J.
Deposit date:2015-09-25
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural role of the T94I rhodopsin mutation in congenital stationary night blindness.
Embo Rep., 17, 2016
4RWA
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BU of 4rwa by Molmil
Synchrotron structure of the human delta opioid receptor in complex with a bifunctional peptide (PSI community target)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Soluble cytochrome b562,Delta-type opioid receptor, bifunctional peptide
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:2023-12-06
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
4S0V
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BU of 4s0v by Molmil
Crystal structure of the human OX2 orexin receptor bound to the insomnia drug Suvorexant
Descriptor: Human Orexin receptor type 2 fusion protein to P. abysii Glycogen Synthase, OLEIC ACID, [(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
Authors:Yin, J, Kolb, P, Mobarec, J.C, Rosenbaum, D.M.
Deposit date:2015-01-06
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the human OX2 orexin receptor bound to the insomnia drug suvorexant.
Nature, 519, 2015
4RWS
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BU of 4rws by Molmil
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:2023-09-20
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
4RWD
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BU of 4rwd by Molmil
XFEL structure of the human delta opioid receptor in complex with a bifunctional peptide
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, OLEIC ACID, SODIUM ION, ...
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:2023-12-06
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

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數據於2024-09-18公開中

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