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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:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of ligand binding modes at the neuropeptide Y Y1receptor
Nature, 556, 2018
6GPX
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BU of 6gpx by Molmil
CRYSTAL STRUCTURE OF CCR2A IN COMPLEX WITH MK-0812
Descriptor: C-C chemokine receptor type 2,Rubredoxin,C-C chemokine receptor type 2, OLEIC ACID, ZINC ION, ...
Authors:Pautsch, A, Schnapp, G, Cheng, R, Apel, A.
Deposit date:2018-06-07
Release date:2019-01-02
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of CC Chemokine Receptor 2A in Complex with an Orthosteric Antagonist Provides Insights for the Design of Selective Antagonists.
Structure, 27, 2019
6K1Q
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Human endothelin receptor type-B in complex with inverse agonist IRL2500
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-2-[[(2~{R})-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid, Endothelin B receptor,Endolysin,Endothelin B receptor, ...
Authors:Nagiri, C, Shihoya, W, Nureki, O.
Deposit date:2019-05-11
Release date:2019-07-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of human endothelin ETBreceptor in complex with peptide inverse agonist IRL2500.
Commun Biol, 2, 2019
6BQH
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BU of 6bqh by Molmil
Crystal structure of 5-HT2C in complex with ritanserin
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 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, ...
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:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.
Cell, 172, 2018
6H7L
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ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND PARTIAL AGONIST DOBUTAMINE AND NANOBODY Nb6B9
Descriptor: Beta-1 adrenergic receptor, Camelid antibody fragment Nb6B9, DOBUTAMINE, ...
Authors:Warne, T, Edwards, P.C, Dore, A.S, Leslie, A.G.W, Tate, C.G.
Deposit date:2018-07-31
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis for high-affinity agonist binding in GPCRs.
Science, 364, 2019
7XW9
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BU of 7xw9 by Molmil
Cryo-EM structure of the TRH-bound human TRHR-Gq 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(q) subunit alpha, ...
Authors:Ji, S, Dong, Y, Chen, L, Zang, S, Shen, D, Guo, J, Qin, J, Zhang, H, Wang, W, Shen, Q, Mao, C, Zhang, Y.
Deposit date:2022-05-26
Release date:2022-12-28
Last modified:2024-01-10
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Molecular basis for the activation of thyrotropin-releasing hormone receptor.
Cell Discov, 8, 2022
5TE3
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BU of 5te3 by Molmil
Crystal structure of Bos taurus opsin at 2.7 Angstrom
Descriptor: PALMITIC ACID, Rhodopsin, SULFATE ION, ...
Authors:Gulati, S, Kiser, P.D, Palczewski, K.
Deposit date:2016-09-20
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Photocyclic behavior of rhodopsin induced by an atypical isomerization mechanism.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6J20
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BU of 6j20 by Molmil
Crystal structure of the human NK1 substance P receptor
Descriptor: 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, Substance-P receptor,Endolysin
Authors:Chen, S, Lu, M, Zhang, H, Wu, B, Zhao, Q.
Deposit date:2018-12-30
Release date:2019-03-06
Last modified:2023-11-22
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
3AYN
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BU of 3ayn by Molmil
Crystal structure of squid isorhodopsin
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, PALMITIC ACID, RETINAL, ...
Authors:Murakami, M, Kouyama, T.
Deposit date:2011-05-09
Release date:2011-08-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystallographic Analysis of the Primary Photochemical Reaction of Squid Rhodopsin
J.Mol.Biol., 413, 2011
6KUX
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BU of 6kux by Molmil
Crystal structures of the alpha2A adrenergic receptor in complex with an antagonist RSC.
Descriptor: (8~{a}~{R},12~{a}~{S},13~{a}~{S})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
Authors:Qu, L, Zhou, Q.T, Wu, D, Zhao, S.W.
Deposit date:2019-09-02
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of the alpha2A adrenergic receptor in complex with an antagonist RSC.
To Be Published
3VG9
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BU of 3vg9 by Molmil
Crystal structure of human adenosine A2A receptor with an allosteric inverse-agonist antibody at 2.7 A resolution
Descriptor: 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, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Hino, T, Arakawa, T, Iwanari, H, Yurugi-Kobayashi, T, Ikeda-Suno, C, Nakada-Nakura, Y, Kusano-Arai, O, Weyand, S, Shimamura, T, Nomura, N, Cameron, A.D, Kobayashi, T, Hamakubo, T, Iwata, S, Murata, T.
Deposit date:2011-08-04
Release date:2012-02-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:G-protein-coupled receptor inactivation by an allosteric inverse-agonist antibody
Nature, 482, 2012
5X7D
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BU of 5x7d by Molmil
Structure of beta2 adrenoceptor bound to carazolol and an intracellular allosteric antagonist
Descriptor: (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Liu, X, Ahn, S, Kahsai, A.W, Meng, K.-C, Latorraca, N.R, Pani, B, Venkatakrishnan, A.J, Masoudi, A, Weis, W.I, Dror, R.O, Chen, X, Lefkowitz, R.J, Kobilka, B.K.
Deposit date:2017-02-25
Release date:2017-08-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Mechanism of intracellular allosteric beta 2AR antagonist revealed by X-ray crystal structure.
Nature, 548, 2017
6NWE
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BU of 6nwe by Molmil
Crystal structure of bovine opsin with beta octyl glucoside bound
Descriptor: ILENLKDVGLF peptide CT2, PALMITIC ACID, Rhodopsin, ...
Authors:Eger, B.T, Morizumi, T, Ernst, O.P.
Deposit date:2019-02-06
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:Odorant-binding site in visual opsin
To Be Published
6Z4S
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BU of 6z4s by Molmil
Crystal structure of the neurotensin receptor 1 (NTSR1-H4bmx) in complex with the small molecule inverse agonist SR48692
Descriptor: 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Neurotensin receptor type 1,DARPin,HRV 3C protease recognition sequence
Authors:Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A.
Deposit date:2020-05-25
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.707 Å)
Cite:Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
8XIQ
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BU of 8xiq by Molmil
Structure of L796778-SSTR3 G protein complex
Descriptor: G-alpha i, 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, Y, Xu, Y, Xu, H.E, Zhuang, Y.
Deposit date:2023-12-19
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3
To Be Published
4MBS
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BU of 4mbs by Molmil
Crystal Structure of the CCR5 Chemokine Receptor
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide, Chimera protein of C-C chemokine receptor type 5 and Rubredoxin, ...
Authors:Tan, Q, Zhu, Y, Han, G.W, Li, J, Fenalti, G, Liu, H, Cherezov, V, Stevens, R.C, GPCR Network (GPCR), Zhao, Q, Wu, B.
Deposit date:2013-08-19
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex.
Science, 341, 2013
8DWG
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BU of 8dwg by Molmil
CryoEM structure of Gq-coupled MRGPRX1 with peptide ligand BAM8-22 and positive allosteric modulator ML382
Descriptor: 2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Liu, Y, Cao, C, Fay, J.F, Roth, B.L.
Deposit date:2022-08-01
Release date:2022-11-02
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Ligand recognition and allosteric modulation of the human MRGPRX1 receptor.
Nat.Chem.Biol., 19, 2023
8DZP
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BU of 8dzp by Molmil
momSalB bound Kappa Opioid Receptor in complex with Gi1
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:Fay, J.F, Che, T.
Deposit date:2022-08-08
Release date:2023-05-03
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Ligand and G-protein selectivity in the kappa-opioid receptor.
Nature, 617, 2023
7P00
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BU of 7p00 by Molmil
Human Neurokinin 1 receptor (NK1R) substance P Gq chimera (mGsqi) complex
Descriptor: Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Thom, C, Ehrenmann, J, Vacca, S, Waltenspuhl, Y, Schoppe, J, Medalia, O, Pluckthun, A.
Deposit date:2021-06-29
Release date:2021-12-15
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Structures of neurokinin 1 receptor in complex with G q and G s proteins reveal substance P binding mode and unique activation features.
Sci Adv, 7, 2021
3QAK
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BU of 3qak by Molmil
Agonist bound structure of the human adenosine A2a receptor
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 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, Adenosine receptor A2a,lysozyme chimera
Authors:Xu, F, Wu, H, Katritch, V, Han, G.W, Cherezov, V, Stevens, R, GPCR Network (GPCR)
Deposit date:2011-01-11
Release date:2011-03-09
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structure of an agonist-bound human A2A adenosine receptor.
Science, 332, 2011
8U4N
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BU of 8u4n by Molmil
Structure of Apo CXCR4/Gi complex
Descriptor: C-X-C chemokine receptor type 4, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Saotome, K, McGoldrick, L.L, Franklin, M.C.
Deposit date:2023-09-11
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:Structural insights into CXCR4 modulation and oligomerization
Biorxiv, 2024
6ZA8
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BU of 6za8 by Molmil
Crystal structure of the neurotensin receptor 1 in complex with the small-molecule partial agonist RTI-3a
Descriptor: (2~{S})-2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid, Neurotensin receptor type 1,Neurotensin receptor type 1,Neurotensin receptor 1 (NTSR1),Neurotensin receptor 1 (NTSR1),Neurotensin receptor type 1,Neurotensin receptor 1 (NTSR1),Neurotensin receptor 1 (NTSR1)
Authors:Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A.
Deposit date:2020-06-05
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
8WZ2
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BU of 8wz2 by Molmil
Structure of 26RFa-pyroglutamylated RFamide peptide receptor complex
Descriptor: G-alpha q, 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:Jin, S, Li, X, Xu, Y, Guo, S, Wu, C, Zhang, H, Yuan, Q, Xu, H.E, Xie, X, Jiang, Y.
Deposit date:2023-11-01
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Structural basis for recognition of 26RFa by the pyroglutamylated RFamide peptide receptor.
Cell Discov, 10, 2024
8INR
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BU of 8inr by Molmil
Cryo-EM structure of the alpha-MSH-bound human melanocortin receptor 5 (MC5R)-Gs complex
Descriptor: CALCIUM ION, 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,HiBiT, ...
Authors:Feng, W.B, Zhou, Q.T, Chen, X.Y, Dai, A.T, Cai, X.Q, Liu, X, Zhao, F.H, Chen, Y, Ye, C.Y, Xu, Y.N, Cong, Z.T, Li, H, Lin, S, Yang, D.H, Wang, M.W.
Deposit date:2023-03-10
Release date:2023-09-20
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Structural insights into ligand recognition and subtype selectivity of the human melanocortin-3 and melanocortin-5 receptors.
Cell Discov, 9, 2023
6RZ9
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BU of 6rz9 by Molmil
Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2770372
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dih ydro-1,4-benzoxazine-2-carboxylic acid, CHOLESTEROL, ...
Authors:Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V.
Deposit date:2019-06-12
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors.
Nat Commun, 10, 2019

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