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7E40
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Mechanism of Phosphate Sensing and Signaling Revealed by Rice SPX1-PHR2 Complex Structure
Descriptor: INOSITOL HEXAKISPHOSPHATE, Protein PHOSPHATE STARVATION RESPONSE 2, SPX domain-containing protein 1,Endolysin
Authors:Zhou, J, Hu, Q, Yao, D, Xing, W.
Deposit date:2021-02-09
Release date:2021-11-10
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Mechanism of phosphate sensing and signaling revealed by rice SPX1-PHR2 complex structure.
Nat Commun, 12, 2021
3QAK
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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
5D5A
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In meso in situ serial 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, Warshamanage, R, Liu, X, Kobilka, B, Kay Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-08-10
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4826 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
4YC4
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BU of 4yc4 by Molmil
Crystal structure of phosphatidyl inositol 4-kinase II alpha in complex with nucleotide analog
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 4-kinase type 2-alpha,Lysozyme,Phosphatidylinositol 4-kinase type 2-alpha, [(1S,3S,4S)-3-(6-amino-9H-purin-9-yl)bicyclo[2.2.1]hept-1-yl]methanol
Authors:Klima, M, Boura, E.
Deposit date:2015-02-19
Release date:2015-07-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:The high-resolution crystal structure of phosphatidylinositol 4-kinase II beta and the crystal structure of phosphatidylinositol 4-kinase II alpha containing a nucleoside analogue provide a structural basis for isoform-specific inhibitor design.
Acta Crystallogr.,Sect.D, 71, 2015
3PBL
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Structure of the human dopamine D3 receptor in complex with eticlopride
Descriptor: 3-chloro-5-ethyl-N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-6-hydroxy-2-methoxybenzamide, D(3) dopamine receptor, Lysozyme chimera, ...
Authors:Chien, E.Y.T, Liu, W, Han, G.W, Katritch, V, Zhao, Q, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
Deposit date:2010-10-20
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure of the human dopamine d3 receptor in complex with a d2/d3 selective antagonist.
Science, 330, 2010
5D5B
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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
3OE0
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BU of 3oe0 by Molmil
Crystal structure of the CXCR4 chemokine receptor in complex with a cyclic peptide antagonist CVX15
Descriptor: C-X-C chemokine receptor type 4, Lysozyme Chimera, Polyphemusin analog, ...
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:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010
3OE9
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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
5D6L
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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
3ODU
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The 2.5 A structure of the CXCR4 chemokine receptor in complex with small molecule antagonist IT1t
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (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, ...
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:2010-08-11
Release date:2010-10-27
Last modified:2021-10-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010
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
5CXV
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Structure of the human M1 muscarinic acetylcholine receptor bound to antagonist Tiotropium
Descriptor: (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, 1,2-ETHANEDIOL, CHOLESTEROL HEMISUCCINATE, ...
Authors:Sun, B, Feng, D, Li, X, Kobilka, T.S, Kobilka, B.K.
Deposit date:2015-07-29
Release date:2016-03-09
Last modified:2016-03-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of the M1 and M4 muscarinic acetylcholine receptors.
Nature, 531, 2016
4Z9G
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BU of 4z9g by Molmil
Crystal structure of human corticotropin-releasing factor receptor 1 (CRF1R) in complex with the antagonist CP-376395 in a hexagonal setting with translational non-crystallographic symmetry
Descriptor: 3,6-dimethyl-N-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine, Corticotropin-releasing factor receptor 1,Lysozyme,Corticotropin-releasing factor receptor 1, OLEIC ACID, ...
Authors:Dore, A.S, Bortolato, A, Hollenstein, K, Cheng, R.K.Y, Read, R.J, Marshall, F.H.
Deposit date:2015-04-10
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.183 Å)
Cite:Decoding Corticotropin-Releasing Factor Receptor Type 1 Crystal Structures.
Curr Mol Pharmacol, 10, 2017
7EW7
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BU of 7ew7 by Molmil
Cryo-EM structure of SEW2871-bound Sphingosine-1-phosphate receptor 1 in complex with Gi protein
Descriptor: 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole, 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:Jia, G.W, Yuan, Y, Su, Z.M, Shao, Z.H.
Deposit date:2021-05-24
Release date:2021-09-29
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition.
Cell Res., 31, 2021
7EW0
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Cryo-EM structure of ozanimod -bound Sphingosine-1-phosphate receptor 1 in complex with Gi protein
Descriptor: 5-[3-[(1~{S})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{H}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile, 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, Su, Z.M, Shao, Z.H.
Deposit date:2021-05-24
Release date:2021-09-29
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition.
Cell Res., 31, 2021
7EVZ
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BU of 7evz by Molmil
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
7EVY
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BU of 7evy by Molmil
Cryo-EM structure of siponimod -bound Sphingosine-1-phosphate receptor 1 in complex with Gi protein
Descriptor: 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Jia, G.W, Yuan, Y, Su, Z.M, Shao, Z.H.
Deposit date:2021-05-24
Release date:2021-09-29
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition.
Cell Res., 31, 2021
7F8Y
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Crystal structure of the cholecystokinin receptor CCKAR in complex with devazepide
Descriptor: N-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide, fusion protein of Cholecystokinin receptor type A and 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:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of the human cholecystokinin receptors bound to agonists and antagonists.
Nat.Chem.Biol., 17, 2021
7F8U
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Crystal structure of the cholecystokinin receptor CCKAR in complex with lintitript
Descriptor: 2-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]ethanoic acid, Fusion protein of Cholecystokinin receptor type A and 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:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of the human cholecystokinin receptors bound to agonists and antagonists.
Nat.Chem.Biol., 17, 2021
4ZWJ
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Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser
Descriptor: Chimera protein of human Rhodopsin, mouse S-arrestin, and T4 Endolysin
Authors:Kang, Y, Zhou, X.E, Gao, X, He, Y, Liu, W, Ishchenko, A, Barty, A, White, T.A, Yefanov, O, Han, G.W, Xu, Q, de Waal, P.W, Ke, J, Tan, M.H.E, Zhang, C, Moeller, A, West, G.M, Pascal, B, Eps, N.V, Caro, L.N, Vishnivetskiy, S.A, Lee, R.J, Suino-Powell, K.M, Gu, X, Pal, K, Ma, J, Zhi, X, Boutet, S, Williams, G.J, Messerschmidt, M, Gati, C, Zatsepin, N.A, Wang, D, James, D, Basu, S, Roy-Chowdhury, S, Conrad, C, Coe, J, Liu, H, Lisova, S, Kupitz, C, Grotjohann, I, Fromme, R, Jiang, Y, Tan, M, Yang, H, Li, J, Wang, M, Zheng, Z, Li, D, Howe, N, Zhao, Y, Standfuss, J, Diederichs, K, Dong, Y, Potter, C.S, Carragher, B, Caffrey, M, Jiang, H, Chapman, H.N, Spence, J.C.H, Fromme, P, Weierstall, U, Ernst, O.P, Katritch, V, Gurevich, V.V, Griffin, P.R, Hubbell, W.L, Stevens, R.C, Cherezov, V, Melcher, K, Xu, H.E, GPCR Network (GPCR)
Deposit date:2015-05-19
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.302 Å)
Cite:Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser.
Nature, 523, 2015
7F8X
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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
3PDS
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BU of 3pds by Molmil
Irreversible Agonist-Beta2 Adrenoceptor Complex
Descriptor: 8-hydroxy-5-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin-2(1H)-one, CHOLESTEROL, Fusion protein Beta-2 adrenergic receptor/Lysozyme, ...
Authors:Rosenbaum, D.M, Zhang, C, Lyons, J.A, Holl, R, Aragao, D, Arlow, D.H, Rasmussen, S.G.F, Choi, H.-J, DeVree, B.T, Sunahara, R.K, Chae, P.S, Gellman, S.H, Dror, R.O, Shaw, D.E, Weis, W.I, Caffrey, M, Gmeiner, P, Kobilka, B.K.
Deposit date:2010-10-24
Release date:2011-01-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure and function of an irreversible agonist-beta(2) adrenoceptor complex
Nature, 469, 2011
5DSG
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Structure of the M4 muscarinic acetylcholine receptor (M4-mT4L) bound to tiotropium
Descriptor: (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ...
Authors:Thal, D.M, Kobilka, B.K, Sexton, P.M, Christopoulos, A.
Deposit date:2015-09-17
Release date:2016-03-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of the M1 and M4 muscarinic acetylcholine receptors.
Nature, 531, 2016
3RZE
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BU of 3rze by Molmil
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
7XK9
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Structure of human beta2 adrenergic receptor bound to constrained isoproterenol
Descriptor: (5R,6R)-6-(propan-2-ylamino)-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 (3.4 Å)
Cite:Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics.
Nat Commun, 14, 2023

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