3UON
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![BU of 3uon by Molmil](/molmil-images/mine/3uon) | Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist | Descriptor: | (3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate, CHLORIDE ION, Human M2 muscarinic acetylcholine, ... | Authors: | Haga, K, Kruse, A.C, Asada, H, Yurugi-Kobayashi, T, Shiroishi, M, Zhang, C, Weis, W.I, Okada, T, Kobilka, B.K, Haga, T, Kobayashi, T. | Deposit date: | 2011-11-16 | Release date: | 2012-02-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist. Nature, 482, 2012
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7F8X
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![BU of 7f8x by Molmil](/molmil-images/mine/7f8x) | Crystal structure of the cholecystokinin receptor CCKAR in complex with NN9056 | Descriptor: | ASP-SMF-NLE-GLY-TRP-NLE-OEM-MEA-NH2 (NN9056), Cholecystokinin receptor type A,Endolysin | Authors: | Zhang, X, He, C, Wang, M, Zhou, Q, Yang, D, Zhu, Y, Wu, B, Zhao, Q. | Deposit date: | 2021-07-02 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of the human cholecystokinin receptors bound to agonists and antagonists. Nat.Chem.Biol., 17, 2021
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5ZBH
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![BU of 5zbh by Molmil](/molmil-images/mine/5zbh) | 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
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5W0P
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![BU of 5w0p by Molmil](/molmil-images/mine/5w0p) | Crystal structure of rhodopsin bound to visual arrestin determined by X-ray free electron laser | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endolysin,Rhodopsin,S-arrestin | Authors: | Zhou, X.E, He, Y, de Waal, P.W, Gao, X, Kang, Y, Van Eps, N, Yin, Y, Pal, K, Goswami, D, White, T.A, Barty, A, Latorraca, N.R, Chapman, H.N, Hubbell, W.L, Dror, R.O, Stevens, R.C, Cherezov, V, Gurevich, V.V, Griffin, P.R, Ernst, O.P, Melcher, K, Xu, H.E. | Deposit date: | 2017-05-31 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.013 Å) | Cite: | Identification of Phosphorylation Codes for Arrestin Recruitment by G Protein-Coupled Receptors. Cell, 170, 2017
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7EVZ
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![BU of 7evz by Molmil](/molmil-images/mine/7evz) | Cryo-EM structure of cenerimod -bound Sphingosine-1-phosphate receptor 1 in complex with Gi protein | Descriptor: | (2~{S})-3-[4-[5-(2-cyclopentyl-6-methoxy-pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methyl-phenoxy]propane-1,2-diol, 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: | Yuan, Y, Jia, G.W, Shao, Z.H, Su, Z.M. | Deposit date: | 2021-05-24 | Release date: | 2021-09-29 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.07 Å) | Cite: | Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition. Cell Res., 31, 2021
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8THL
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![BU of 8thl by Molmil](/molmil-images/mine/8thl) | |
6OBA
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![BU of 6oba by Molmil](/molmil-images/mine/6oba) | The beta2 adrenergic receptor bound to a negative allosteric modulator | Descriptor: | (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, 6-bromo-N~2~-phenylquinazoline-2,4-diamine, Beta-2 adrenergic receptor,Lysozyme,Beta-2 adrenergic receptor, ... | Authors: | Liu, X, Stobel, A, Kaindl, J, Dengler, D, ClarK, M, Mahoney, J, Korczynska, M, Matt, R.A, Hubner, H, Xu, X, Stanek, M, Hirata, K, Shoichet, B, Sunahara, R, Gmeiner, R, Kobilka, B.K. | Deposit date: | 2019-03-20 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | An allosteric modulator binds to a conformational hub in the beta2adrenergic receptor. Nat.Chem.Biol., 16, 2020
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6LUQ
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![BU of 6luq by Molmil](/molmil-images/mine/6luq) | Haloperidol bound D2 dopamine receptor structure inspired discovery of subtype selective ligands | Descriptor: | 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one, OLEIC ACID, chimera of D(2) dopamine receptor and Endolysin | Authors: | Fan, L, Tan, L, Chen, Z, Qi, J, Nie, F, Luo, Z, Cheng, J, Wang, S. | Deposit date: | 2020-01-30 | Release date: | 2020-03-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Haloperidol bound D2dopamine receptor structure inspired the discovery of subtype selective ligands. Nat Commun, 11, 2020
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3RZE
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![BU of 3rze by Molmil](/molmil-images/mine/3rze) | Structure of the human histamine H1 receptor in complex with doxepin | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine, (3Z)-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: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of the human histamine H1 receptor complex with doxepin. Nature, 475, 2011
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4LDL
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![BU of 4ldl by Molmil](/molmil-images/mine/4ldl) | Structure of beta2 adrenoceptor bound to hydroxybenzylisoproterenol and an engineered nanobody | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-[(1R)-1-hydroxy-2-{[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino}ethyl]benzene-1,2-diol, Camelid Antibody Fragment, ... | Authors: | Ring, A.M, Manglik, A, Kruse, A.C, Enos, M.D, Weis, W.I, Garcia, K.C, Kobilka, B.K. | Deposit date: | 2013-06-24 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Adrenaline-activated structure of beta 2-adrenoceptor stabilized by an engineered nanobody. Nature, 502, 2013
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3OE9
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![BU of 3oe9 by Molmil](/molmil-images/mine/3oe9) | Crystal structure of the chemokine CXCR4 receptor in complex with a small molecule antagonist IT1t in P1 spacegroup | Descriptor: | (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, Lysozyme Chimera | 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: | 2021-10-06 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science, 330, 2010
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4RWS
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![BU of 4rws by Molmil](/molmil-images/mine/4rws) | 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
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3OE8
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![BU of 3oe8 by Molmil](/molmil-images/mine/3oe8) | Crystal structure of the CXCR4 chemokine receptor in complex with a small molecule antagonist IT1t in P1 spacegroup | Descriptor: | (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, Lysozyme Chimera | 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: | 2021-10-06 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science, 330, 2010
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5ZHP
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![BU of 5zhp by Molmil](/molmil-images/mine/5zhp) | M3 muscarinic acetylcholine receptor in complex with a selective antagonist | Descriptor: | (1R,2R,4S,5S,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium, CITRIC ACID, HEXAETHYLENE GLYCOL, ... | Authors: | Liu, H, Hofmann, J, Fish, I, Schaake, B, Eitel, K, Bartuschat, A, Kaindl, J, Rampp, H, Banerjee, A, Hubner, H, Clark, M.J, Vincent, S.G, Fisher, J, Heinrich, M, Hirata, K, Liu, X, Sunahara, R.K, Shoichet, B.K, Kobilka, B.K, Gmeiner, P. | Deposit date: | 2018-03-13 | Release date: | 2018-11-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure-guided development of selective M3 muscarinic acetylcholine receptor antagonists Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6KK7
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![BU of 6kk7 by Molmil](/molmil-images/mine/6kk7) | Structure of thermal-stabilised(M6) human GLP-1 receptor transmembrane domain | Descriptor: | Glucagon-like peptide 1 receptor,Endolysin,Glucagon-like peptide 1 receptor, N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine | Authors: | Song, G. | Deposit date: | 2019-07-23 | Release date: | 2019-11-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Mutagenesis facilitated crystallization of GLP-1R. Iucrj, 6, 2019
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7XKA
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![BU of 7xka by Molmil](/molmil-images/mine/7xka) | Structure of human beta2 adrenergic receptor bound to constrained epinephrine | Descriptor: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ... | Authors: | Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P. | Deposit date: | 2022-04-19 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics. Nat Commun, 14, 2023
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5CGC
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![BU of 5cgc by Molmil](/molmil-images/mine/5cgc) | Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, ... | Authors: | Christopher, J.A, Aves, S.J, Bennett, K.A, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Okrasa, K, Serrano-Vega, M.J, Tehan, B.G, Wiggin, G.R, Congreve, M. | Deposit date: | 2015-07-09 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.101 Å) | Cite: | Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile). J.Med.Chem., 58, 2015
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7BTS
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![BU of 7bts by Molmil](/molmil-images/mine/7bts) | Structure of human beta1 adrenergic receptor bound to epinephrine and nanobody 6B9 | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHOLESTEROL, ... | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | Deposit date: | 2020-04-02 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR. Cell Res., 31, 2021
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3NYA
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![BU of 3nya by Molmil](/molmil-images/mine/3nya) | Crystal structure of the human beta2 adrenergic receptor in complex with the neutral antagonist alprenolol | Descriptor: | (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, Beta-2 adrenergic receptor, Lysozyme, ... | 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: | 2023-09-06 | 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
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5XF1
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![BU of 5xf1 by Molmil](/molmil-images/mine/5xf1) | Structure of the Full-length glucagon class B G protein-coupled receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B. | Deposit date: | 2017-04-06 | Release date: | 2017-05-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Structure of the full-length glucagon class B G-protein-coupled receptor. Nature, 546, 2017
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4TN3
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![BU of 4tn3 by Molmil](/molmil-images/mine/4tn3) | Structure of the BBox-Coiled-coil region of Rhesus Trim5alpha | Descriptor: | TRIM5/cyclophilin A fusion protein/T4 Lysozyme chimera, ZINC ION | Authors: | Kirkpatrick, J.J, Stoye, J.P, Taylor, I.A, Goldstone, D.C. | Deposit date: | 2014-06-03 | Release date: | 2014-07-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.1989 Å) | Cite: | Structural studies of postentry restriction factors reveal antiparallel dimers that enable avid binding to the HIV-1 capsid lattice. Proc.Natl.Acad.Sci.USA, 111, 2014
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5XSZ
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![BU of 5xsz by Molmil](/molmil-images/mine/5xsz) | Crystal structure of zebrafish lysophosphatidic acid receptor LPA6 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Lysophosphatidic acid receptor 6a,Endolysin,Lysophosphatidic acid receptor 6a | Authors: | Taniguchi, R, Nishizawa, T, Ishitani, R, Nureki, O. | Deposit date: | 2017-06-16 | Release date: | 2017-08-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural insights into ligand recognition by the lysophosphatidic acid receptor LPA6 Nature, 548, 2017
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5D6L
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![BU of 5d6l by Molmil](/molmil-images/mine/5d6l) | 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
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6KPC
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![BU of 6kpc by Molmil](/molmil-images/mine/6kpc) | Crystal structure of an agonist bound GPCR | Descriptor: | 7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]- 7-methyloctanenitrile, Cannabinoid receptor 2,Endolysin | 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 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-GiComplex Structures. Cell, 180, 2020
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4LDO
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![BU of 4ldo by Molmil](/molmil-images/mine/4ldo) | Structure of beta2 adrenoceptor bound to adrenaline and an engineered nanobody | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, Camelid Antibody Fragment, L-EPINEPHRINE, ... | Authors: | Ring, A.M, Manglik, A, Kruse, A.C, Enos, M.D, Weis, W.I, Garcia, K.C, Kobilka, B.K. | Deposit date: | 2013-06-24 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Adrenaline-activated structure of beta 2-adrenoceptor stabilized by an engineered nanobody. Nature, 502, 2013
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