6C1Q
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![BU of 6c1q by Molmil](/molmil-images/mine/6c1q) | Crystal structure of human C5a receptor in complex with an orthosteric antagonist PMX53 and an allosteric antagonist NDT9513727 | Descriptor: | 1-(1,3-benzodioxol-5-yl)-~{N}-(1,3-benzodioxol-5-ylmethyl)-~{N}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine, PMX53, Soluble cytochrome b562, ... | Authors: | Liu, H, Wang, L, Wei, Z, Zhang, C. | Deposit date: | 2018-01-05 | Release date: | 2018-05-30 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Orthosteric and allosteric action of the C5a receptor antagonists. Nat. Struct. Mol. Biol., 25, 2018
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5YWY
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![BU of 5ywy by Molmil](/molmil-images/mine/5ywy) | Crystal structure of the human prostaglandin E receptor EP4 in complex with Fab and ONO-AE3-208 | Descriptor: | 4-[4-cyano-2-[[(2R)-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid, Heavy chain of Fab fragment, Light chain of Fab fragment, ... | Authors: | Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T. | Deposit date: | 2017-11-30 | Release date: | 2018-12-05 | Last modified: | 2018-12-19 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface. Nat. Chem. Biol., 15, 2019
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6BQH
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![BU of 6bqh by Molmil](/molmil-images/mine/6bqh) | 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
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6BQG
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![BU of 6bqg by Molmil](/molmil-images/mine/6bqg) | Crystal structure of 5-HT2C in complex with ergotamine | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, Ergotamine | 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 (3 Å) | Cite: | 5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology. Cell, 172, 2018
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6B73
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![BU of 6b73 by Molmil](/molmil-images/mine/6b73) | Crystal Structure of a nanobody-stabilized active state of the kappa-opioid receptor | Descriptor: | CHOLESTEROL, N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide, 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: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor. Cell, 172, 2018
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5YHL
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![BU of 5yhl by Molmil](/molmil-images/mine/5yhl) | Crystal structure of the human prostaglandin E receptor EP4 in complex with Fab and an antagonist Br-derivative | Descriptor: | 4-[2-[[(2R)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid, Heavy chain of Fab fragment, Light chain of Fab fragment, ... | Authors: | Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T. | Deposit date: | 2017-09-28 | Release date: | 2018-12-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface. Nat. Chem. Biol., 15, 2019
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5YC8
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![BU of 5yc8 by Molmil](/molmil-images/mine/5yc8) | Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with NMS (Hg-derivative) | Descriptor: | MERCURY (II) ION, Muscarinic acetylcholine receptor M2,Redesigned apo-cytochrome b562,Muscarinic acetylcholine receptor M2, N-methyl scopolamine | Authors: | Suno, R, Maeda, S, Yasuda, S, Yamashita, K, Hirata, K, Horita, S, Tawaramoto, M.S, Tsujimoto, H, Murata, T, Kinoshita, M, Yamamoto, M, Kobilka, B.K, Iwata, S, Kobayashi, T. | Deposit date: | 2017-09-06 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into the subtype-selective antagonist binding to the M2muscarinic receptor Nat. Chem. Biol., 14, 2018
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6AQF
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![BU of 6aqf by Molmil](/molmil-images/mine/6aqf) | Crystal structure of A2AAR-BRIL in complex with the antagonist ZM241385 produced from Pichia pastoris | 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: | Eddy, M.T, Lee, M.Y, Gao, Z, White, K, Didenko, T, Horst, R, Audet, M, Stanczak, P, McClary, K.M, Han, G.W, Jacobson, K.A, Stevens, R.C, Wuthrich, K. | Deposit date: | 2017-08-19 | Release date: | 2018-01-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Allosteric Coupling of Drug Binding and Intracellular Signaling in the A2A Adenosine Receptor. Cell, 172, 2018
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5OLV
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![BU of 5olv by Molmil](/molmil-images/mine/5olv) | Structure of the A2A-StaR2-bRIL562-LUAA47070 complex at 2.0A obtained from in meso soaking experiments. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | Authors: | Rucktooa, P, Cheng, R.K.Y, Segala, E, Geng, T, Errey, J.C, Brown, G.A, Cooke, R, Marshall, F.H, Dore, A.S. | Deposit date: | 2017-07-28 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals. Sci Rep, 8, 2018
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5OLO
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![BU of 5olo by Molmil](/molmil-images/mine/5olo) | Structure of the A2A-StaR2-bRIL562-Tozadenant complex at 3.1A obtained from in meso soaking experiments. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | Authors: | Rucktooa, P, Cheng, R.K.Y, Segala, E, Geng, T, Errey, J.C, Brown, G.A, Cooke, R, Marshall, F.H, Dore, A.S. | Deposit date: | 2017-07-28 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals. Sci Rep, 8, 2018
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5OLZ
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![BU of 5olz by Molmil](/molmil-images/mine/5olz) | Structure of the A2A-StaR2-bRIL562-Compound 4e complex at 1.9A obtained from bespoke co-crystallisation experiments. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | Authors: | Rucktooa, P, Cheng, R.K.Y, Segala, E, Geng, T, Errey, J.C, Brown, G.A, Cooke, R, Marshall, F.H, Dore, A.S. | Deposit date: | 2017-07-28 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals. Sci Rep, 8, 2018
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5OM1
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![BU of 5om1 by Molmil](/molmil-images/mine/5om1) | Structure of the A2A-StaR2-bRIL562-Compound 4e complex at 2.1A obtained from in meso soaking experiments (1 hour soak). | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | Authors: | Rucktooa, P, Cheng, R.K.Y, Segala, E, Geng, T, Errey, J.C, Brown, G.A, Cooke, R, Marshall, F.H, Dore, A.S. | Deposit date: | 2017-07-28 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals. Sci Rep, 8, 2018
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5OM4
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![BU of 5om4 by Molmil](/molmil-images/mine/5om4) | Structure of the A2A-StaR2-bRIL562-Compound 4e complex at 1.86A obtained from in meso soaking experiments (24 hour soak). | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | Authors: | Rucktooa, P, Cheng, R.K.Y, Segala, E, Geng, T, Errey, J.C, Brown, G.A, Cooke, R, Marshall, F.H, Dore, A.S. | Deposit date: | 2017-07-28 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals. Sci Rep, 8, 2018
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5OLH
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![BU of 5olh by Molmil](/molmil-images/mine/5olh) | Structure of the A2A-StaR2-bRIL562-Vipadenant complex at 2.6A obtained from in meso soaking experiments. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[(4-azanyl-3-methyl-phenyl)methyl]-7-(furan-2-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | Authors: | Rucktooa, P, Cheng, R.K.Y, Segala, E, Geng, T, Errey, J.C, Brown, G.A, Cooke, R, Marshall, F.H, Dore, A.S. | Deposit date: | 2017-07-27 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals. Sci Rep, 8, 2018
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5OLG
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![BU of 5olg by Molmil](/molmil-images/mine/5olg) | Structure of the A2A-StaR2-bRIL562-ZM241385 complex at 1.86A obtained from in meso soaking experiments. | 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,Adenosine receptor A2a, ... | Authors: | Rucktooa, P, Cheng, R.K.Y, Segala, E, Geng, T, Errey, J.C, Brown, G.A, Cooke, R, Marshall, F.H, Dore, A.S. | Deposit date: | 2017-07-27 | Release date: | 2018-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals. Sci Rep, 8, 2018
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5WKT
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![BU of 5wkt by Molmil](/molmil-images/mine/5wkt) | 3.2-Angstrom In situ Mylar structure of bovine opsin at 100 K | Descriptor: | Rhodopsin, SULFATE ION, Transducin Galpha peptide, ... | Authors: | Broecker, J, Morizumi, T, Ou, W.-L, Ernst, O.P. | Deposit date: | 2017-07-25 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | High-throughput in situ X-ray screening of and data collection from protein crystals at room temperature and under cryogenic conditions. Nat Protoc, 13, 2018
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5WIU
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![BU of 5wiu by Molmil](/molmil-images/mine/5wiu) | Structure of the human D4 Dopamine receptor in complex with Nemonapride | Descriptor: | D(4) dopamine receptor, soluble cytochrome b562 chimera, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wacker, D, Wang, S, Levit, A, Che, T, Betz, R.M, McCorvy, J.D, Venkatakrishnan, A.J, Huang, X.-P, Dror, R.O, Shoichet, B.K, Roth, B.L. | Deposit date: | 2017-07-20 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.962 Å) | Cite: | D4 dopamine receptor high-resolution structures enable the discovery of selective agonists. Science, 358, 2017
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5WIV
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![BU of 5wiv by Molmil](/molmil-images/mine/5wiv) | Structure of the sodium-bound human D4 Dopamine receptor in complex with Nemonapride | Descriptor: | D(4) dopamine receptor, soluble cytochrome b562 chimera, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wacker, D, Wang, S, Levit, A, Che, T, Betz, R.M, McCorvy, J.D, Venkatakrishnan, A.J, Huang, X.-P, Dror, R.O, Shoichet, B.K, Roth, B.L. | Deposit date: | 2017-07-20 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.143 Å) | Cite: | D4 dopamine receptor high-resolution structures enable the discovery of selective agonists. Science, 358, 2017
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5WF5
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![BU of 5wf5 by Molmil](/molmil-images/mine/5wf5) | Agonist bound human A2a adenosine receptor with D52N mutation at 2.60 A resolution | 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, Human A2a adenosine receptor T4L chimera | 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 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Connection between Activation Microswitch and Allosteric Sodium Site in GPCR Signaling. Structure, 26, 2018
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5WF6
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![BU of 5wf6 by Molmil](/molmil-images/mine/5wf6) | Agonist bound human A2a adenosine receptor with S91A mutation at 2.90 A resolution | 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, Human A2a adenosine receptor T4L chimera | 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 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Connection between Activation Microswitch and Allosteric Sodium Site in GPCR Signaling. Structure, 26, 2018
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5WB2
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![BU of 5wb2 by Molmil](/molmil-images/mine/5wb2) | US28 bound to engineered chemokine CX3CL1.35 and nanobodies | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHOLESTEROL, ... | Authors: | Jude, K.M, Burg, J.S, Tsutsumi, N, Miles, T.F, Garcia, K.C. | Deposit date: | 2017-06-27 | Release date: | 2018-06-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Viral GPCR US28 can signal in response to chemokine agonists of nearly unlimited structural degeneracy. Elife, 7, 2018
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5WB1
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![BU of 5wb1 by Molmil](/molmil-images/mine/5wb1) | |
5O9H
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![BU of 5o9h by Molmil](/molmil-images/mine/5o9h) | Crystal structure of thermostabilised human C5a anaphylatoxin chemotactic receptor 1 (C5aR) in complex with NDT9513727 | Descriptor: | 1-(1,3-benzodioxol-5-yl)-~{N}-(1,3-benzodioxol-5-ylmethyl)-~{N}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine, C5a anaphylatoxin chemotactic receptor 1, CITRIC ACID, ... | Authors: | Robertson, N, Rappas, M, Dore, A.S, Brown, J, Bottegoni, G, Koglin, M, Cansfield, J, Jazayeri, A, Cooke, R.M, Marshall, F.H. | Deposit date: | 2017-06-19 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of the complement C5a receptor bound to the extra-helical antagonist NDT9513727. Nature, 553, 2018
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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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5XRA
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![BU of 5xra by Molmil](/molmil-images/mine/5xra) | Crystal structure of the human CB1 in complex with agonist AM11542 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6aR,10aR)-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol, CHOLESTEROL, ... | Authors: | Hua, T, Vemuri, K, Nikas, P.S, Laprairie, R.B, Wu, Y, Qu, L, Pu, M, Korde, A, Shan, J, Ho, J.H, Han, G.W, Ding, K, Li, X, Liu, H, Hanson, M.A, Zhao, S, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J. | Deposit date: | 2017-06-08 | Release date: | 2017-07-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of agonist-bound human cannabinoid receptor CB1 Nature, 547, 2017
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