SARS-CoV-2 S-protein:D614G mutant in 1-up conformation
Resolution: 3.4 Å
EM Method: Single-particle
Fitted PDBs: 8p99
Q-score: 0.343
Gargantilla M, Frances C, Adhav A, Forcada-Nadal A, Martinez-Gualda B, Marti-Mari O, Lopez-Redondo ML, Melero R, Marco-Marin C, Gougeard N, Espinosa C, Rubio-Del-Campo A, Ruiz-Partida R, Hernandez-Sierra MDP, Villamayor-Belinchon L, Bravo J, Llacer JL, Marina A, Rubio V, San-Felix A, Geller R, Perez-Perez MJ
J Med Chem (2023) 66 pp. 10432-10457 [ Pubmed: 37471688 DOI: doi:10.1021/acs.jmedchem.3c00576 ]
SARS-CoV-2 S protein S:D614G mutant in 3-down with binding site of an entry inhibitor
Resolution: 4.3 Å
EM Method: Single-particle
Fitted PDBs: 8p9y
Q-score: 0.117
Gargantilla M, Frances C, Adhav A, Forcada-Nadal A, Martinez-Gualda B, Marti-Mari O, Lopez-Redondo ML, Melero R, Marco-Marin C, Gougeard N, Espinosa C, Rubio-Del-Campo A, Ruiz-Partida R, Hernandez-Sierra MDP, Villamayor-Belinchon L, Bravo J, Llacer JL, Marina A, Rubio V, San-Felix A, Geller R, Perez-Perez MJ
J Med Chem (2023) 66 pp. 10432-10457 [ Pubmed: 37471688 DOI: doi:10.1021/acs.jmedchem.3c00576 ]
- Sodium ion (22 Da, Ligand)
- [(2~{s})-2-[[4-(2-azanylethanoylamino)-7-[[(2~{s})-3-[2-(4-nitrophenyl)sulfanyl-1~{h}-indol-3-yl]-1-oxidanylidene-1-sodiooxy-propan-2-yl]amino]-4-[3-[[(2~{s})-3-[2-(4-nitrophenyl)sulfanyl-1~{h}-indol-3-yl]-1-oxidanylidene-1-sodiooxy-propan-2-yl]amino]-3-oxidanylidene-propyl]-7-oxidanylidene-heptanoyl]amino]-3-[2-(4-nitrophenyl)sulfanyl-1~{h}-indol-3-yl]propanoyl]oxysodium (1 kDa, Ligand)
- Spike protein s1,spike glycoprotein (140 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Spike glycoprotein - severe acute respiratory syndrome coronavirus 2 (Complex from Severe acute respiratory syndrome coronavirus 2)
SARS-CoV-2 S protein S:A222V + S:D614G mutant 1-up
Resolution: 3.4 Å
EM Method: Single-particle
Fitted PDBs: 7qdg
Q-score: 0.31
Ginex T, Marco-Marin C, Wieczor M, Mata CP, Krieger J, Ruiz-Rodriguez P, Lopez-Redondo ML, Frances-Gomez C, Melero R, Sanchez-Sorzano CO, Martinez M, Gougeard N, Forcada-Nadal A, Zamora-Caballero S, Gozalbo-Rovira R, Sanz-Frasquet C, Arranz R, Bravo J, Rubio V, Marina A, Geller R, Comas I, Gil C, Coscolla M, Orozco M, Llacer JL, Carazo JM
PLoS Pathog (2022) 18 pp. e1010631-e1010631 [ Pubmed: 35816514 DOI: doi:10.1371/journal.ppat.1010631 ]
SARS-CoV-2 S protein S:A222V + S:D614G mutant 2-up
Ginex T, Marco-Marin C, Wieczor M, Mata CP, Krieger J, Ruiz-Rodriguez P, Lopez-Redondo ML, Frances-Gomez C, Melero R, Sanchez-Sorzano CO, Martinez M, Gougeard N, Forcada-Nadal A, Zamora-Caballero S, Gozalbo-Rovira R, Sanz-Frasquet C, Arranz R, Bravo J, Rubio V, Marina A, Geller R, Comas I, Gil C, Coscolla M, Orozco M, Llacer JL, Carazo JM
PLoS Pathog (2022) 18 pp. e1010631-e1010631 [ Pubmed: 35816514 DOI: doi:10.1371/journal.ppat.1010631 ]
SARS-CoV-2 S protein S:A222V + S:D614G mutant 3-down
Ginex T, Marco-Marin C, Wieczor M, Mata CP, Krieger J, Ruiz-Rodriguez P, Lopez-Redondo ML, Frances-Gomez C, Melero R, Sanchez-Sorzano CO, Martinez M, Gougeard N, Forcada-Nadal A, Zamora-Caballero S, Gozalbo-Rovira R, Sanz-Frasquet C, Arranz R, Bravo J, Rubio V, Marina A, Geller R, Comas I, Gil C, Coscolla M, Orozco M, Llacer JL, Carazo JM
PLoS Pathog (2022) 18 pp. e1010631-e1010631 [ Pubmed: 35816514 DOI: doi:10.1371/journal.ppat.1010631 ]
SARS-CoV-2 S protein S:D614G mutant 1-up
Resolution: 4.2 Å
EM Method: Single-particle
Fitted PDBs: 7qdh
Q-score: 0.079
Ginex T, Marco-Marin C, Wieczor M, Mata CP, Krieger J, Ruiz-Rodriguez P, Lopez-Redondo ML, Frances-Gomez C, Melero R, Sanchez-Sorzano CO, Martinez M, Gougeard N, Forcada-Nadal A, Zamora-Caballero S, Gozalbo-Rovira R, Sanz-Frasquet C, Arranz R, Bravo J, Rubio V, Marina A, Geller R, Comas I, Gil C, Coscolla M, Orozco M, Llacer JL, Carazo JM
PLoS Pathog (2022) 18 pp. e1010631-e1010631 [ Pubmed: 35816514 DOI: doi:10.1371/journal.ppat.1010631 ]
- Sars-cov-2 s protein s:d614g mutant (340 kDa, Complex from Severe acute respiratory syndrome-related coronavirus)
- Spike glycoprotein,fibritin (138 kDa, Protein from Escherichia virus T4)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
SARS-CoV-2 S protein S:D614G mutant 2-up
Ginex T, Marco-Marin C, Wieczor M, Mata CP, Krieger J, Ruiz-Rodriguez P, Lopez-Redondo ML, Frances-Gomez C, Melero R, Sanchez-Sorzano CO, Martinez M, Gougeard N, Forcada-Nadal A, Zamora-Caballero S, Gozalbo-Rovira R, Sanz-Frasquet C, Arranz R, Bravo J, Rubio V, Marina A, Geller R, Comas I, Gil C, Coscolla M, Orozco M, Llacer JL, Carazo JM
PLoS Pathog (2022) 18 pp. e1010631-e1010631 [ Pubmed: 35816514 DOI: doi:10.1371/journal.ppat.1010631 ]