Structure of GABAAR determined by cryoEM at 100 keV
Resolution: 3.6 Å
EM Method: Single-particle
Fitted PDBs: 8pvb
Q-score: 0.486
McMullan G, Naydenova K, Mihaylov D, Yamashita K, Peet MJ, Wilson H, Dickerson JL, Chen S, Cannone G, Lee Y, Hutchings KA, Gittins O, Sobhy MA, Wells T, El-Gomati MM, Dalby J, Meffert M, Schulze-Briese C, Henderson R, Russo CJ
PNAS (2023) 120 pp. e2312905120-e2312905120 [ Pubmed: 38011573 DOI: doi:10.1073/pnas.2312905120 ]
- Human gaba(a)r-beta3 homopentamer in complex with megabody-25 in lipid nanodisc (Complex from Homo sapiens)
- Histamine (111 Da, Ligand)
- Hexadecane (226 Da, Ligand)
- Decane (142 Da, Ligand)
- Gamma-aminobutyric acid receptor subunit beta-3 (45 kDa, Protein from Homo sapiens)
- Megabody mb25 (56 kDa, Protein from Lama glama)
- Etomidate (244 Da, Ligand)
- Chloride ion (35 Da, Ligand)
Alpha1/BetaB Heteromeric Glycine Receptor in 1 mM Glycine 20 uM Ivermectin State
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 8fe1
Q-score: 0.527
Gibbs E, Klemm E, Seiferth D, Kumar A, Ilca SL, Biggin PC, Chakrapani S
Nat Commun (2023) 14 pp. 1363-1363 [ DOI: doi:10.1038/s41467-023-37106-7 Pubmed: 36914669 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- (2ae,4e,5's,6s,6'r,7s,8e,11r,13r,15s,17ar,20r,20ar,20bs)-6'-[(2s)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2h,7h-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-o-(2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranosyl)-3-o-methyl-alpha-l-arabino-hexopyranoside (875 Da, Ligand)
- Palmitic acid (256 Da, Ligand)
- Glycine receptor beta subunit 2 (65 kDa, Protein from Danio rerio)
- Glycine receptor subunit alphaz1 (52 kDa, Protein from Danio rerio)
- Decane (142 Da, Ligand)
- Zebrafish alpha1 betab heteromeric glycine receptor (250 kDa, Complex from Danio rerio)
- 1,2-dimyristoyl-sn-glycero-3-phosphocholine (678 Da, Ligand)
- Glycine (75 Da, Ligand)
Resolution: 3.03 Å
EM Method: Single-particle
Fitted PDBs: 8b01
Q-score: 0.539
Davies JS, Currie MJ, North RA, Scalise M, Wright JD, Copping JM, Remus DM, Gulati A, Morado DR, Jamieson SA, Newton-Vesty MC, Abeysekera GS, Ramaswamy S, Friemann R, Wakatsuki S, Allison JR, Indiveri C, Drew D, Mace PD, Dobson RCJ
Nat Commun (2023) 14 pp. 1120-1120 [ Pubmed: 36849793 DOI: doi:10.1038/s41467-023-36590-1 ]
- Megabody c7hopq (54 kDa, Protein from synthetic construct)
- Docosane (310 Da, Ligand)
- Hexane (86 Da, Ligand)
- Putative trap-type c4-dicarboxylate transport system, large permease component (45 kDa, Protein from Photobacterium profundum SS9)
- Phosphatidylethanolamine (734 Da, Ligand)
- Putative trap-type c4-dicarboxylate transport system, small permease component (19 kDa, Protein from Photobacterium profundum SS9)
- Sodium ion (22 Da, Ligand)
- Tridecane (184 Da, Ligand)
- Decane (142 Da, Ligand)
- Siaqm (Complex from Photobacterium profundum)
- N-octane (114 Da, Ligand)
- Siaqm with megabody (Complex)
- Megabody (Complex from Helicobacter pylori)
Transport protein in an occluded state
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 7m5v
Q-score: 0.49
Tillinghast J, Drury S, Bowser D, Benn A, Lee KPK
Mol Cell (2021) 81 pp. 4650-4662.e4 [ Pubmed: 34715014 DOI: doi:10.1016/j.molcel.2021.10.002 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Water (18 Da, Ligand)
- Polyamine-transporting atpase 13a2 (129 kDa, Protein from Homo sapiens)
- (2r)-3-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6r)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate (746 Da, Ligand)
- Phosphoaminophosphonic acid-adenylate ester (506 Da, Ligand)
- Decane (142 Da, Ligand)
- Transport protein in an occluded state (130 kDa, Complex from Homo sapiens)
- Magnesium ion (24 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Dodecyl-beta-d-maltoside (510 Da, Ligand)
- 1-dodecanol (186 Da, Ligand)
- Dodecane (170 Da, Ligand)
Transport protein in inhibited state 1
Resolution: 2.7 Å
EM Method: Single-particle
Fitted PDBs: 7m5x
Q-score: 0.484
Tillinghast J, Drury S, Bowser D, Benn A, Lee KPK
Mol Cell (2021) 81 pp. 4650-4662.e4 [ Pubmed: 34715014 DOI: doi:10.1016/j.molcel.2021.10.002 ]
- Tetradecane (198 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- (2r)-3-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6r)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate (746 Da, Ligand)
- Spermine (fully protonated form) (206 Da, Ligand)
- Dodecane (170 Da, Ligand)
- Polyamine-transporting atpase 13a2 (129 kDa, Protein from Homo sapiens)
- Decane (142 Da, Ligand)
- Transport protein in inhibited state 1 (130 kDa, Complex from Homo sapiens)
- Magnesium ion (24 Da, Ligand)
- Beryllium trifluoride ion (66 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Dodecyl-beta-d-maltoside (510 Da, Ligand)
- Water (18 Da, Ligand)
- Cholesterol (386 Da, Ligand)
Transport protein in inhibited state 2
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 7m5y
Q-score: 0.452
Tillinghast J, Drury S, Bowser D, Benn A, Lee KPK
Mol Cell (2021) 81 pp. 4650-4662.e4 [ Pubmed: 34715014 DOI: doi:10.1016/j.molcel.2021.10.002 ]
- Tetradecane (198 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- (2r)-3-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6r)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate (746 Da, Ligand)
- Spermine (fully protonated form) (206 Da, Ligand)
- Transport protein in inhibited state 2 monomer (130 kDa, Complex from Homo sapiens)
- Dodecane (170 Da, Ligand)
- Polyamine-transporting atpase 13a2 (129 kDa, Protein from Homo sapiens)
- Decane (142 Da, Ligand)
- Tetrafluoromagnesate(2-) (100 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Dodecyl-beta-d-maltoside (510 Da, Ligand)
- Water (18 Da, Ligand)
- Cholesterol (386 Da, Ligand)
apo SERT reconstituted in lipid nanodisc in KCl
Resolution: 3.5 Å
EM Method: Single-particle
Fitted PDBs: 7li6
Q-score: 0.436
Sci Adv (2021) 7 pp. eabl3857-eabl3857 [ Pubmed: 34851672 DOI: doi:10.1126/sciadv.abl3857 ]
- Variable domain of 15b8 antibody fab heavy chain (12 kDa, Protein from Mus musculus)
- Pentane (72 Da, Ligand)
- Sodium-dependent serotonin transporter (60 kDa, Protein from Homo sapiens)
- Hexadecane (226 Da, Ligand)
- Dodecane (170 Da, Ligand)
- Decane (142 Da, Ligand)
- Variable domain of 15b8 antibody fab light chain (11 kDa, Protein from Mus musculus)
- Apo state of human serotonin transporter in complex with 15b8 fab in kcl (Complex from Homo sapiens)
- Heptane (100 Da, Ligand)
- Chloride ion (35 Da, Ligand)
Resolution: 4.1 Å
EM Method: Single-particle
Fitted PDBs: 7li7
Q-score: 0.364
Sci Adv (2021) 7 pp. eabl3857-eabl3857 [ Pubmed: 34851672 DOI: doi:10.1126/sciadv.abl3857 ]
- Variable domain of 15b8 antibody fab heavy chain (12 kDa, Protein from Mus musculus)
- Sodium-dependent serotonin transporter (60 kDa, Protein from Homo sapiens)
- Pentane (72 Da, Ligand)
- Apo human serotonin transporter in complex with 15b8 fab in nacl (Complex from Homo sapiens)
- Decane (142 Da, Ligand)
- Variable domain of 15b8 antibody fab light chain (11 kDa, Protein from Mus musculus)
- Heptane (100 Da, Ligand)
- Cholesterol (386 Da, Ligand)
- Dodecane (170 Da, Ligand)
5-HT bound serotonin transporter reconstituted in lipid nanodisc in KCl
Resolution: 3.9 Å
EM Method: Single-particle
Fitted PDBs: 7li9
Q-score: 0.38
Sci Adv (2021) 7 pp. eabl3857-eabl3857 [ Pubmed: 34851672 DOI: doi:10.1126/sciadv.abl3857 ]
- Variable domain of 15b8 antibody fab heavy chain (12 kDa, Protein from Mus musculus)
- Pentane (72 Da, Ligand)
- Sodium-dependent serotonin transporter (60 kDa, Protein from Homo sapiens)
- Decane (142 Da, Ligand)
- Human serotonin transporter in complex with 15b8 fab in kcl in presence of serotonin (Complex from Homo sapiens)
- Variable domain of 15b8 antibody fab light chain (11 kDa, Protein from Mus musculus)
- Serotonin (176 Da, Ligand)
- Heptane (100 Da, Ligand)
- Chloride ion (35 Da, Ligand)
- Dodecane (170 Da, Ligand)
Resolution: 3.3 Å
EM Method: Single-particle
Fitted PDBs: 7lia
Q-score: 0.498
Sci Adv (2021) 7 pp. eabl3857-eabl3857 [ Pubmed: 34851672 DOI: doi:10.1126/sciadv.abl3857 ]
- Variable domain of 15b8 antibody fab heavy chain (12 kDa, Protein from Mus musculus)
- Pentane (72 Da, Ligand)
- Human serotonin transporter in complex with 15b8 fab in presence of serotonin in nacl (Complex from Homo sapiens)
- Sodium-dependent serotonin transporter (60 kDa, Protein from Homo sapiens)
- Sodium ion (22 Da, Ligand)
- Decane (142 Da, Ligand)
- Serotonin (176 Da, Ligand)
- Variable domain of 15b8 antibody fab light chain (11 kDa, Protein from Mus musculus)
- Heptane (100 Da, Ligand)
- Cholesterol (386 Da, Ligand)
- Chloride ion (35 Da, Ligand)