CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with GABA and puerarin
Resolution: 2.4 Å
EM Method: Single-particle
Fitted PDBs: 9eqg
Q-score: 0.627
Lyu Q, Xue W, Liu R, Ma Q, Kasaragod VB, Sun S, Li Q, Chen Y, Yuan M, Yang Y, Zhang B, Nie A, Jia S, Shen C, Gao P, Rong W, Yu C, Bi Y, Zhang C, Nan F, Ning G, Rao Z, Yang X, Wang J, Wang W
Nature (2024) 634 pp. 936-943 [ Pubmed: 39261733 DOI: doi:10.1038/s41586-024-07929-5 ]
- Gamma-aminobutyric acid receptor subunit beta-3 (54 kDa, Protein from Homo sapiens)
- Hexane (86 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- 1,2-dilauroyl-sn-glycero-3-phosphate (535 Da, Ligand)
- Water (18 Da, Ligand)
- Palmitic acid (256 Da, Ligand)
- Gamma-amino-butanoic acid (103 Da, Ligand)
- Gamma-aminobutyric acid receptor subunit gamma-2 (56 kDa, Protein from Homo sapiens)
- [(2r)-1-octadecanoyloxy-3-[oxidanyl-[(1r,2r,3s,4r,5r,6s)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8z)-icosa-5,8,11,14-tetraenoate (1 kDa, Ligand)
- Hexadecane (226 Da, Ligand)
- Decane (142 Da, Ligand)
- (1r)-2-{[(s)-{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate (749 Da, Ligand)
- Puerarin (416 Da, Ligand)
- Cryoem structure of human full-length alpha1beta3gamma2l gaba(a)r in complex with gaba and puerarin (250 kDa, Complex from Homo sapiens)
- Chloride ion (35 Da, Ligand)
- Gamma-aminobutyric acid receptor subunit alpha-1 (52 kDa, Protein from Homo sapiens)
Human EBP complexed with compound 3a
Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 8w0s
Q-score: 0.558
Dorel R, Sun D, Carruthers N, Castanedo GM, Ung PM, Factor DC, Li T, Baumann H, Janota D, Pang J, Salphati L, Meklemburg R, Korman AJ, Harper HE, Stubblefield S, Payandeh J, McHugh D, Lang BT, Tesar PJ, Dere E, Masureel M, Adams DJ, Volgraf M, Braun MG
J Med Chem (2024) 67 pp. 4819-4832 [ Pubmed: 38470227 DOI: doi:10.1021/acs.jmedchem.3c02396 ]
Structural Basis of Human NOX5 Activation
Resolution: 3.3 Å
EM Method: Single-particle
Fitted PDBs: 8u86
Q-score: 0.45
Cui C, Jiang M, Jain N, Das S, Lo YH, Kermani AA, Pipatpolkai T, Sun J
Nat Commun (2024) 15 pp. 3994-3994 [ DOI: doi:10.1038/s41467-024-48467-y Pubmed: 38734761 ]
- Zinc ion (65 Da, Ligand)
- Nadph oxidase 5 (82 kDa, Protein from Homo sapiens)
- Nadph oxidase 5 (Complex from Homo sapiens)
- Decane (142 Da, Ligand)
- Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate (745 Da, Ligand)
- Heme b/c (618 Da, Ligand)
- Flavin-adenine dinucleotide (785 Da, Ligand)
- Dodecane (170 Da, Ligand)
Structural Basis of Human NOX5 Activation
Resolution: 4.06 Å
EM Method: Single-particle
Fitted PDBs: 8u7y
Q-score: 0.327
Cui C, Jiang M, Jain N, Das S, Lo YH, Kermani AA, Pipatpolkai T, Sun J
Nat Commun (2024) 15 pp. 3994-3994 [ DOI: doi:10.1038/s41467-024-48467-y Pubmed: 38734761 ]
- Zinc ion (65 Da, Ligand)
- Nadph oxidase 5 (82 kDa, Protein from Homo sapiens)
- Nadp nicotinamide-adenine-dinucleotide phosphate (743 Da, Ligand)
- Nadph oxidase 5 (Complex from Homo sapiens)
- Decane (142 Da, Ligand)
- Heme b/c (618 Da, Ligand)
- Flavin-adenine dinucleotide (785 Da, Ligand)
- Dodecane (170 Da, Ligand)
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)
Resolution: 2.5 Å
EM Method: Single-particle
Fitted PDBs: 7qn5
Q-score: 0.58
Sente A, Desai R, Naydenova K, Malinauskas T, Jounaidi Y, Miehling J, Zhou X, Masiulis S, Hardwick SW, Chirgadze DY, Miller KW, Aricescu AR
Nature (2022) 604 pp. 190-194 [ Pubmed: 35355020 DOI: doi:10.1038/s41586-022-04517-3 ]
- 1,2-dipalmitoyl-sn-glycero-3-phosphate (647 Da, Ligand)
- Gamma-aminobutyric acid receptor subunit beta-3 (54 kDa, Protein from Homo sapiens)
- Nanobody nb25 (13 kDa, Protein from Lama glama)
- Human full-length extrasynaptic alpha4beta3delta gaba(a)r in complex with nanobody nb25 (Complex from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Gamma-aminobutyric acid receptor subunit alpha-4 (61 kDa, Protein from Homo sapiens)
- 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid (238 Da, Ligand)
- Decane (142 Da, Ligand)
- N-octane (114 Da, Ligand)
- Gamma-aminobutyric acid receptor subunit delta (52 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
- Chloride ion (35 Da, Ligand)
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 7qn7
Q-score: 0.548
Sente A, Desai R, Naydenova K, Malinauskas T, Jounaidi Y, Miehling J, Zhou X, Masiulis S, Hardwick SW, Chirgadze DY, Miller KW, Aricescu AR
Nature (2022) 604 pp. 190-194 [ Pubmed: 35355020 DOI: doi:10.1038/s41586-022-04517-3 ]
- 1,2-dipalmitoyl-sn-glycero-3-phosphate (647 Da, Ligand)
- Gamma-aminobutyric acid receptor subunit beta-3 (54 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Gamma-amino-butanoic acid (103 Da, Ligand)
- Gamma-aminobutyric acid receptor subunit alpha-4 (61 kDa, Protein from Homo sapiens)
- Histamine (111 Da, Ligand)
- Hexadecane (226 Da, Ligand)
- Decane (142 Da, Ligand)
- Gamma-aminobutyric acid receptor subunit delta (52 kDa, Protein from Homo sapiens)
- Nanobody nb25 (13 kDa, Protein from Homo sapiens)
- Human full-length extrasynaptic alpha4beta3delta gaba(a)r in complex with gaba, histamine and nanobody nb25 (Complex from Homo sapiens)
- Water (18 Da, Ligand)
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 7qn9
Q-score: 0.505
Sente A, Desai R, Naydenova K, Malinauskas T, Jounaidi Y, Miehling J, Zhou X, Masiulis S, Hardwick SW, Chirgadze DY, Miller KW, Aricescu AR
Nature (2022) 604 pp. 190-194 [ Pubmed: 35355020 DOI: doi:10.1038/s41586-022-04517-3 ]
- Gamma-aminobutyric acid receptor subunit beta-3 (54 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Gamma-aminobutyric acid receptor subunit alpha-4 (61 kDa, Protein from Homo sapiens)
- Histamine (111 Da, Ligand)
- Hexadecane (226 Da, Ligand)
- Human full-length extrasynaptic alpha4beta3delta gaba(a)r in complex with histamine and nanobody nb25 (Complex from Homo sapiens)
- Decane (142 Da, Ligand)
- Gamma-aminobutyric acid receptor subunit delta (52 kDa, Protein from Homo sapiens)
- Nanobody nb25 (13 kDa, Protein from Homo sapiens)