Inactive Mu-Opioid Receptor with Nb6M, NabFab, and isoquinuclidine compound #33
Resolution: 3.9 Å
EM Method: Single-particle
Fitted PDBs: 9mqh
Q-score: 0.431
Vigneron SF, Ohno S, Braz J, Kim JY, Kweon OS, Webb C, Billesbolle C, Bhardwaj K, Irwin J, Manglik A, Basbaum AI, Ellman JA, Shoichet BK
bioRxiv (2025) [ DOI: doi:10.1101/2025.01.09.632033 Pubmed: 39868130 ]
- Mu-type opioid receptor (46 kDa, Protein from Homo sapiens)
- Human mu-opioid receptor (46 MDa, Complex from Homo sapiens)
Inactive Mu-Opioid Receptor with Nb6M, NabFab, and isoquinuclidine compound#020_E1
Resolution: 3.3 Å
EM Method: Single-particle
Fitted PDBs: 9mqi
Q-score: 0.352
Vigneron SF, Ohno S, Braz J, Kim JY, Kweon OS, Webb C, Billesbolle C, Bhardwaj K, Irwin J, Manglik A, Basbaum AI, Ellman JA, Shoichet BK
bioRxiv (2025) [ DOI: doi:10.1101/2025.01.09.632033 Pubmed: 39868130 ]
- Nanobody 6m (14 kDa, Protein from synthetic construct)
- Mu-type opioid receptor (46 kDa, Protein from Homo sapiens)
- Nabfab light chain (23 kDa, Protein from synthetic construct)
- Nabfab heavy chain (25 kDa, Protein from synthetic construct)
- Methyl (1s,3r,4s,6s,8m)-2-[(1-ethyl-1h-pyrazol-4-yl)methyl]-8-(3-hydroxyphenyl)-3,4-dimethyl-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate (395 Da, Ligand)
- Human mu-opioid receptor (46 MDa, Complex from Homo sapiens)
Locally-refined Inactive Mu-Opioid Receptor with Nb6M, NabFab, and isoquinuclidine compound #020_E1
Resolution: 3.23 Å
EM Method: Single-particle
Fitted PDBs: 9mqj
Q-score: 0.402
Vigneron SF, Ohno S, Braz J, Kim JY, Kweon OS, Webb C, Billesbolle C, Bhardwaj K, Irwin J, Manglik A, Basbaum AI, Ellman JA, Shoichet BK
bioRxiv (2025) [ DOI: doi:10.1101/2025.01.09.632033 Pubmed: 39868130 ]
Inactive Kappa-Opioid Receptor with Nb6M, NabFab, and isoquinuclidine compound #020_E1
Resolution: 3.18 Å
EM Method: Single-particle
Fitted PDBs: 9mqk
Q-score: 0.466
Vigneron SF, Ohno S, Braz J, Kim JY, Kweon OS, Webb C, Billesbolle C, Bhardwaj K, Irwin J, Manglik A, Basbaum AI, Ellman JA, Shoichet BK
bioRxiv (2025) [ DOI: doi:10.1101/2025.01.09.632033 Pubmed: 39868130 ]
- Nanobody 6m (14 kDa, Protein from synthetic construct)
- Nabfab light chain (23 kDa, Protein from synthetic construct)
- Nabfab heavy chain (25 kDa, Protein from synthetic construct)
- Methyl (1s,3r,4s,6s,8m)-2-[(1-ethyl-1h-pyrazol-4-yl)methyl]-8-(3-hydroxyphenyl)-3,4-dimethyl-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate (395 Da, Ligand)
- Human kappa-opioid receptor (46 MDa, Complex from Homo sapiens)
- Kappa-opioid receptor (43 kDa, Protein from Homo sapiens)
Resolution: 2.96 Å
EM Method: Single-particle
Fitted PDBs: 9mql
Q-score: 0.559
Vigneron SF, Ohno S, Braz J, Kim JY, Kweon OS, Webb C, Billesbolle C, Bhardwaj K, Irwin J, Manglik A, Basbaum AI, Ellman JA, Shoichet BK
bioRxiv (2025) [ DOI: doi:10.1101/2025.01.09.632033 Pubmed: 39868130 ]
ST171-bound serotonin 5-HT1A receptor - Gi Protein Complex
Resolution: 2.4 Å
EM Method: Single-particle
Fitted PDBs: 8pjk
Q-score: 0.611
Ullrich A, Schneider J, Braz JM, Neu E, Staffen N, Stanek M, Blahova J, Hove T, Albert T, Allikalt A, Lober S, Bhardwaj K, Rodriguez-Rosado S, Fink E, Rasmussen T, Hubner H, Inoue A, Shoichet BK, Basbaum AJ, Bottcher B, Weikert D, Gmeiner P
bioRxiv (2023) [ DOI: doi:10.1101/2023.09.11.557127 ]
- (2r)-1-(heptadecanoyloxy)-3-{[(r)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate (953 Da, Ligand)
- 5-hydroxytryptamine receptor 1a (51 kDa, Protein from Homo sapiens)
- Guanine nucleotide-binding protein g(i) subunit alpha-1 (40 kDa, Protein from Homo sapiens)
- St171-bound serotonin 5-ht1a receptor - gi protein complex (Complex from Homo sapiens)
- 6-[3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-4~{h}-1,4-benzoxazin-3-one (372 Da, Ligand)
- Guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (7 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (38 kDa, Protein from Homo sapiens)
- Cholesterol (386 Da, Ligand)
Befiradol-bound serotonin 5-HT1A receptor - Gi Protein Complex
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 8pkm
Q-score: 0.468
Ullrich A, Schneider J, Braz JM, Neu E, Staffen N, Stanek M, Blahova J, Hove T, Albert T, Allikalt A, Lober S, Bhardwaj K, Rodriguez-Rosado S, Fink E, Rasmussen T, Hubner H, Inoue A, Shoichet BK, Basbaum AJ, Bottcher B, Weikert D, Gmeiner P
bioRxiv (2023) [ DOI: doi:10.1101/2023.09.11.557127 ]
- (2r)-1-(heptadecanoyloxy)-3-{[(r)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate (953 Da, Ligand)
- Befiradol-bound serotonin 5-ht1a receptor - gi protein complex (Complex from Homo sapiens)
- 5-hydroxytryptamine receptor 1a (51 kDa, Protein from Homo sapiens)
- Guanine nucleotide-binding protein g(i) subunit alpha-1 (40 kDa, Protein from Homo sapiens)
- (3-chloranyl-4-fluoranyl-phenyl)-[4-fluoranyl-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone (393 Da, Ligand)
- Guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (7 kDa, Protein from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (38 kDa, Protein from Homo sapiens)
- Cholesterol (386 Da, Ligand)