6AX8
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![BU of 6ax8 by Molmil](/molmil-images/mine/6ax8) | Mycobacterium tuberculosis methionyl-tRNA synthetase in complex with methionyl-adenylate | Descriptor: | Methionine-tRNA ligase, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2S)-2-azanyl-4-methylsulfanyl-butanoate | Authors: | Barros-Alvarez, X, Hol, W.G.J. | Deposit date: | 2017-09-06 | Release date: | 2018-04-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The crystal structure of the drug target Mycobacterium tuberculosis methionyl-tRNA synthetase in complex with a catalytic intermediate. Acta Crystallogr F Struct Biol Commun, 74, 2018
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5USF
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7SF8
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![BU of 7sf8 by Molmil](/molmil-images/mine/7sf8) | GPR56 (ADGRG1) 7TM domain bound to tethered agonist in complex with G protein heterotrimer | Descriptor: | G protein subunit 13 (Gi2-mini-G13 chimera), 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: | Barros-Alvarez, X, Panova, O, Skiniotis, G. | Deposit date: | 2021-10-03 | Release date: | 2022-04-27 | Last modified: | 2022-05-11 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | The tethered peptide activation mechanism of adhesion GPCRs. Nature, 604, 2022
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7SF7
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![BU of 7sf7 by Molmil](/molmil-images/mine/7sf7) | LPHN3 (ADGRL3) 7TM domain bound to tethered agonist in complex with G protein heterotrimer | Descriptor: | G protein subunit 13 (Gi2-mini-G13 chimera), 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: | Barros-Alvarez, X, Panova, O, Skiniotis, G. | Deposit date: | 2021-10-03 | Release date: | 2022-04-27 | Last modified: | 2022-05-11 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | The tethered peptide activation mechanism of adhesion GPCRs. Nature, 604, 2022
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5TQU
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![BU of 5tqu by Molmil](/molmil-images/mine/5tqu) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor | Descriptor: | 2-[2-[[3-(1~{H}-benzimidazol-2-ylamino)propylamino]methyl]-4,6-bis(chloranyl)indol-1-yl]ethanol, GLYCEROL, METHIONINE, ... | Authors: | Barros-Alvarez, X, Hol, W.G.J. | Deposit date: | 2016-10-24 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | From Cells to Mice to Target: Characterization of NEU-1053 (SB-443342) and Its Analogues for Treatment of Human African Trypanosomiasis. ACS Infect Dis, 3, 2017
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6CML
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![BU of 6cml by Molmil](/molmil-images/mine/6cml) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 2093) | Descriptor: | 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2-chloro-4-methoxyphenyl)methyl]-3-ethyl-1,3-dihydro-2H-imidazol-2-one, GLYCEROL, METHIONINE, ... | Authors: | Barros-Alvarez, X, Hol, W.G.J. | Deposit date: | 2018-03-05 | Release date: | 2019-03-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-guided discovery of selective methionyl-tRNA synthetase inhibitors with potent activity against Trypanosoma brucei Rsc Med Chem, 11, 2020
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5J59
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![BU of 5j59 by Molmil](/molmil-images/mine/5j59) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1893) | Descriptor: | 5-chloro-N-(2-{[(3,5-dichlorophenyl)methyl]amino}ethyl)-N-methyl-3H-imidazo[4,5-b]pyridin-2-amine, GLYCEROL, METHIONINE, ... | Authors: | Barros-Alvarez, X, Hol, W.G.J. | Deposit date: | 2016-04-01 | Release date: | 2017-01-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors. Eur J Med Chem, 124, 2016
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6MES
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5J5A
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![BU of 5j5a by Molmil](/molmil-images/mine/5j5a) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 70786556) | Descriptor: | METHIONINE, Methionyl-tRNA synthetase, putative, ... | Authors: | Barros-Alvarez, X, Koh, C.Y, Hol, W.G.J. | Deposit date: | 2016-04-01 | Release date: | 2017-01-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors. Eur J Med Chem, 124, 2016
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5J58
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![BU of 5j58 by Molmil](/molmil-images/mine/5j58) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1856) | Descriptor: | (3S)-1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]piperidin-3-amine, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Barros-Alvarez, X, Hol, W.G.J. | Deposit date: | 2016-04-01 | Release date: | 2017-01-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors. Eur J Med Chem, 124, 2016
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8UWL
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![BU of 8uwl by Molmil](/molmil-images/mine/8uwl) | 5-HT2AR bound to Lisuride in complex with a mini-Gq protein and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM) | Descriptor: | 5-hydroxytryptamine receptor 2A, G protein subunit q (Gi2-mini-Gq chimera), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Barros-Alvarez, X, Kim, K, Panova, O, Roth, B.L, Skiniotis, G. | Deposit date: | 2023-11-06 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | AlphaFold2 structures guide prospective ligand discovery. Science, 2024
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5V49
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7SRQ
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![BU of 7srq by Molmil](/molmil-images/mine/7srq) | 5-HT2B receptor bound to LSD obtained by cryo-electron microscopy (cryoEM) | Descriptor: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 2B | Authors: | Barros-Alvarez, X, Cao, C, Panova, O, Roth, B.L, Skiniotis, G. | Deposit date: | 2021-11-08 | Release date: | 2022-09-21 | Last modified: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Signaling snapshots of a serotonin receptor activated by the prototypical psychedelic LSD. Neuron, 110, 2022
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7SRS
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![BU of 7srs by Molmil](/molmil-images/mine/7srs) | 5-HT2B receptor bound to LSD in complex with beta-arrestin1 obtained by cryo-electron microscopy (cryoEM) | Descriptor: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 2B, ... | Authors: | Barros-Alvarez, X, Cao, C, Panova, O, Roth, B.L, Skiniotis, G. | Deposit date: | 2021-11-08 | Release date: | 2022-09-21 | Last modified: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Signaling snapshots of a serotonin receptor activated by the prototypical psychedelic LSD. Neuron, 110, 2022
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7SRR
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![BU of 7srr by Molmil](/molmil-images/mine/7srr) | 5-HT2B receptor bound to LSD in complex with heterotrimeric mini-Gq protein obtained by cryo-electron microscopy (cryoEM) | Descriptor: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 2B, G protein subunit q (Gi2-mini-Gq chimera), ... | Authors: | Barros-Alvarez, X, Kim, K, Panova, O, Cao, C, Roth, B.L, Skiniotis, G. | Deposit date: | 2021-11-08 | Release date: | 2022-09-21 | Last modified: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Signaling snapshots of a serotonin receptor activated by the prototypical psychedelic LSD. Neuron, 110, 2022
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7RAN
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![BU of 7ran by Molmil](/molmil-images/mine/7ran) | 5-HT2AR bound to a novel agonist in complex with a mini-Gq protein and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM) | Descriptor: | (3R)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3,6-tetrahydropyridin-1-ium, 5-hydroxytryptamine receptor 2A, G protein subunit q (Gi2-mini-Gq chimera), ... | Authors: | Barros-Alvarez, X, Kim, K, Panova, O, Roth, B.L, Skiniotis, G. | Deposit date: | 2021-07-02 | Release date: | 2022-07-06 | Last modified: | 2022-11-02 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Bespoke library docking for 5-HT 2A receptor agonists with antidepressant activity. Nature, 610, 2022
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7MTQ
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![BU of 7mtq by Molmil](/molmil-images/mine/7mtq) | CryoEM Structure of Full-Length mGlu2 in Inactive-State Bound to Antagonist LY341495 | Descriptor: | 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2 | Authors: | Seven, A.B, Barros-Alvarez, X, Skiniotis, G. | Deposit date: | 2021-05-13 | Release date: | 2021-07-07 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | G-protein activation by a metabotropic glutamate receptor. Nature, 595, 2021
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7MTR
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![BU of 7mtr by Molmil](/molmil-images/mine/7mtr) | CryoEM Structure of Full-Length mGlu2 Bound to Ago-PAM ADX55164 and Glutamate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methoxy-6-propyl-N-(2-{4-[(1H-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine, GLUTAMIC ACID, ... | Authors: | Seven, A.B, Barros-Alvarez, X, Skiniotis, G. | Deposit date: | 2021-05-13 | Release date: | 2021-07-07 | Last modified: | 2021-09-08 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | G-protein activation by a metabotropic glutamate receptor. Nature, 595, 2021
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7MTS
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![BU of 7mts by Molmil](/molmil-images/mine/7mts) | CryoEM Structure of mGlu2 - Gi Complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methoxy-6-propyl-N-(2-{4-[(1H-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine, GLUTAMIC ACID, ... | Authors: | Seven, A.B, Barros-Alvarez, X, Skiniotis, G. | Deposit date: | 2021-05-13 | Release date: | 2021-07-07 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | G-protein activation by a metabotropic glutamate receptor. Nature, 595, 2021
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8V6U
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![BU of 8v6u by Molmil](/molmil-images/mine/8v6u) | 5HT2AR-miniGq heterotrimer in complex with a novel agonist obtained from large scale docking | Descriptor: | 4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol, 5-hydroxytryptamine receptor 2A, G protein alpha-subunit q (Gi2-mini-Gq chimera), ... | Authors: | Gumpper, R.H, Wang, L, Kapolka, N, Skiniotis, G, Roth, B.L. | Deposit date: | 2023-12-03 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | AlphaFold2 structures guide prospective ligand discovery. Science, 2024
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7RYC
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![BU of 7ryc by Molmil](/molmil-images/mine/7ryc) | 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
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