CryoEM Structure of HCA2-Gi1 in complex with MK-1903
Resolution: 3.24 Å
EM Method: Single-particle
Fitted PDBs: 8utd
Q-score: 0.347
Kang HJ, Krumm BE, Tassou A, Geron M, DiBerto JF, Kapolka NJ, Gumpper RH, Sakamoto K, Dewran Kocak D, Olsen RHJ, Huang XP, Zhang S, Huang KL, Zaidi SA, Nguyen MT, Jo MJ, Katritch V, Fay JF, Scherrer G, Roth BL
Cell (2024) 187 pp. 7433-7449.e20 [ Pubmed: 39631393 DOI: doi:10.1016/j.cell.2024.11.001 ]
- 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) subunit alpha-1 (40 kDa, Protein from Homo sapiens)
- Human hca2-gai1 in complex with mk1903 (Complex from Homo sapiens)
- Scfv16 (28 kDa, Protein from Lama glama)
- (4ar,5ar)-4,4a,5,5a-tetrahydro-1h-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxylic acid (164 Da, Ligand)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (39 kDa, Protein from Homo sapiens)
- Hydroxycarboxylic acid receptor 2 (42 kDa, Protein from Homo sapiens)
CryoEM Structure of HCA2 DREADD Gi1 in complex with FCH-2296413
Resolution: 2.62 Å
EM Method: Single-particle
Fitted PDBs: 8uuj
Q-score: 0.53
Kang HJ, Krumm BE, Tassou A, Geron M, DiBerto JF, Kapolka NJ, Gumpper RH, Sakamoto K, Dewran Kocak D, Olsen RHJ, Huang XP, Zhang S, Huang KL, Zaidi SA, Nguyen MT, Jo MJ, Katritch V, Fay JF, Scherrer G, Roth BL
Cell (2024) 187 pp. 7433-7449.e20 [ Pubmed: 39631393 DOI: doi:10.1016/j.cell.2024.11.001 ]
- 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) subunit alpha-1 (40 kDa, Protein from Homo sapiens)
- Scfv16 (28 kDa, Protein from Lama glama)
- Mouse hcad-gai1 in complex with fch-2296413 (Complex from Homo sapiens)
- (3m,4ar,5ar)-3-(1h-tetrazol-5-yl)-4,4a,5,5a-tetrahydro-1h-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole (188 Da, Ligand)
- Hydroxycarboxylic acid receptor 2 (41 kDa, Protein from Mus musculus)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (39 kDa, Protein from Homo sapiens)
Resolution: 3.44 Å
EM Method: Single-particle
Fitted PDBs: 9jrk
Q-score: 0.469
Zhang QX, Zhang XY, Liu KX, Gao P
To Be Published
- Outward-open hslc19a1 + mtx (Complex from Homo sapiens)
- Methotrexate (454 Da, Ligand)
- Soluble cytochrome b562,reduced folate transporter,fusion protein (77 kDa, Protein from Homo sapiens)
outward-open hSLC19A1 + 2'3'-CDAS
Resolution: 3.34 Å
EM Method: Single-particle
Fitted PDBs: 9jrm
Q-score: 0.468
Zhang QX, Zhang XY, Liu KX, Gao P
To Be Published
- (1~{r},3~{s},6~{r},8~{r},9~{r},10~{s},12~{s},15~{r},17~{r},18~{r})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-9,18-diol (690 Da, Ligand)
- Outward-open hslc19a1 + 2'3'-cdas (Complex from Homo sapiens)
- Soluble cytochrome b562,reduced folate transporter,soluble cytochrome b562,reduced folate transporter,fusion protein (77 kDa, Protein from Homo sapiens)
Resolution: 3.74 Å
EM Method: Single-particle
Fitted PDBs: 9jrn
Q-score: 0.416
Zhang QX, Zhang XY, Liu KX, Gao P
To Be Published
- Thiamine diphosphate (425 Da, Ligand)
- Soluble cytochrome b562,reduced folate transporter,fusion protein (77 kDa, Protein from Homo sapiens)
- Outward-open hslc19a1 + tpp (Complex from Homo sapiens)
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 ]