Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 8e56
Q-score: 0.54
Yao X, Gao S, Wang J, Li Z, Huang J, Wang Y, Wang Z, Chen J, Fan X, Wang W, Jin X, Pan X, Yu Y, Lagrutta A, Yan N
Cell (2022) 185 pp. 4801-4810.e13 [ Pubmed: 36417914 DOI: doi:10.1016/j.cell.2022.10.024 ]
- Voltage-dependent l-type calcium channel subunit alpha-1s (212 kDa, Protein from rabbit)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- 1,2-distearoyl-sn-glycerophosphoethanolamine (748 Da, Ligand)
- Voltage-dependent calcium channel gamma-1 subunit (25 kDa, Protein from rabbit)
- Calcium ion (40 Da, Ligand)
- Cav1.1 (Complex from Oryctolagus cuniculus)
- Voltage-dependent calcium channel subunit alpha-2/delta-1 (125 kDa, Protein from rabbit)
- (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone (645 Da, Ligand)
Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 8e57
Q-score: 0.534
Yao X, Gao S, Wang J, Li Z, Huang J, Wang Y, Wang Z, Chen J, Fan X, Wang W, Jin X, Pan X, Yu Y, Lagrutta A, Yan N
Cell (2022) 185 pp. 4801-4810.e13 [ DOI: doi:10.1016/j.cell.2022.10.024 Pubmed: 36417914 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Voltage-dependent calcium channel gamma-1 subunit (25 kDa, Protein from rabbit)
- Propan-2-yl (2s)-2-{[(s)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-ethynyl-3-hydroxy-4-methyloxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name) (535 Da, Ligand)
- Voltage-dependent calcium channel subunit alpha-2/delta-1 (125 kDa, Protein from rabbit)
- Voltage-dependent l-type calcium channel subunit alpha-1s (212 kDa, Protein from rabbit)
- (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone (645 Da, Ligand)
- Calcium ion (40 Da, Ligand)
- Cav1.1 (Complex from Oryctolagus cuniculus)
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 8e58
Q-score: 0.533
Yao X, Gao S, Wang J, Li Z, Huang J, Wang Y, Wang Z, Chen J, Fan X, Wang W, Jin X, Pan X, Yu Y, Lagrutta A, Yan N
Cell (2022) 185 pp. 4801-4810.e13 [ DOI: doi:10.1016/j.cell.2022.10.024 Pubmed: 36417914 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Voltage-dependent calcium channel gamma-1 subunit (25 kDa, Protein from rabbit)
- Propan-2-yl (2s)-2-{[(s)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-ethynyl-3-hydroxy-4-methyloxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name) (535 Da, Ligand)
- Voltage-dependent calcium channel subunit alpha-2/delta-1 (125 kDa, Protein from rabbit)
- Voltage-dependent l-type calcium channel subunit alpha-1s (212 kDa, Protein from rabbit)
- (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone (645 Da, Ligand)
- Calcium ion (40 Da, Ligand)
- Cav1.1 (Complex from Oryctolagus cuniculus)
Resolution: 3.1 Å
EM Method: Single-particle
Fitted PDBs: 8e59
Q-score: 0.446
Yao X, Gao S, Wang J, Li Z, Huang J, Wang Y, Wang Z, Chen J, Fan X, Wang W, Jin X, Pan X, Yu Y, Lagrutta A, Yan N
Cell (2022) 185 pp. 4801-4810.e13 [ Pubmed: 36417914 DOI: doi:10.1016/j.cell.2022.10.024 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Cav1.3 (Complex from Homo sapiens)
- 1,2-distearoyl-sn-glycerophosphoethanolamine (748 Da, Ligand)
- Calcium ion (40 Da, Ligand)
- Voltage-dependent l-type calcium channel subunit alpha-1d (245 kDa, Protein from Homo sapiens)
- Voltage-dependent calcium channel subunit alpha-2/delta-1 (124 kDa, Protein from Homo sapiens)
- (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone (645 Da, Ligand)
- Voltage-dependent l-type calcium channel subunit beta-3 (54 kDa, Protein from Homo sapiens)
Resolution: 3.3 Å
EM Method: Single-particle
Fitted PDBs: 8e5a
Q-score: 0.423
Yao X, Gao S, Wang J, Li Z, Huang J, Wang Y, Wang Z, Chen J, Fan X, Wang W, Jin X, Pan X, Yu Y, Lagrutta A, Yan N
Cell (2022) 185 pp. 4801-4810.e13 [ DOI: doi:10.1016/j.cell.2022.10.024 Pubmed: 36417914 ]
- Cav1.3 (Complex from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Voltage-dependent l-type calcium channel subunit alpha-1d (245 kDa, Protein from Homo sapiens)
- Voltage-dependent l-type calcium channel subunit beta-3 (54 kDa, Protein from Homo sapiens)
- Calcium ion (40 Da, Ligand)
- Voltage-dependent calcium channel subunit alpha-2/delta-1 (124 kDa, Protein from Homo sapiens)
Resolution: 3.3 Å
EM Method: Single-particle
Fitted PDBs: 8e5b
Q-score: 0.467
Yao X, Gao S, Wang J, Li Z, Huang J, Wang Y, Wang Z, Chen J, Fan X, Wang W, Jin X, Pan X, Yu Y, Lagrutta A, Yan N
Cell (2022) 185 pp. 4801-4810.e13 [ DOI: doi:10.1016/j.cell.2022.10.024 Pubmed: 36417914 ]
- Cav1.3 (Complex from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Voltage-dependent l-type calcium channel subunit alpha-1d (245 kDa, Protein from Homo sapiens)
- Sofosbuvir (529 Da, Ligand)
- Voltage-dependent l-type calcium channel subunit beta-3 (54 kDa, Protein from Homo sapiens)
- (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone (645 Da, Ligand)
- Calcium ion (40 Da, Ligand)
- Voltage-dependent calcium channel subunit alpha-2/delta-1 (124 kDa, Protein from Homo sapiens)
Cytoplasmic tail deleted HIV-1 Env bound with three 4E10 Fabs
Resolution: 3.67 Å
EM Method: Single-particle
Fitted PDBs: 7sd3
Q-score: 0.349
Yang S, Hiotis G, Wang Y, Chen J, Wang JH, Kim M, Reinherz EL, Walz T
Nat Commun (2022) 13 pp. 6393-6393 [ DOI: doi:10.1038/s41467-022-34008-y Pubmed: 36302771 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Hiv-1 gp145 bound with three 4e10 fabs (600 kDa, Complex from HIV whole-genome vector AA1305#18)
- Envelope glycoprotein gp120 (54 kDa, Protein from HIV whole-genome vector AA1305#18)
- 4e10 fab light chain (23 kDa, Protein from Homo sapiens)
- Transmembrane protein gp41 (19 kDa, Protein from HIV whole-genome vector AA1305#18)
- 4e10 fab heavy chain (24 kDa, Protein from Homo sapiens)
Resolution: 3.6 Å
EM Method: Single-particle
Fitted PDBs: 8eig
Q-score: 0.506
Science (2022) 378 pp. 284-290 [ Pubmed: 36264792 DOI: doi:10.1126/science.ade2216 ]
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Cholesterol (386 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- (6p)-n-(1,3-dimethyl-1h-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1h-pyrazol-1-yl]-2-[(4s)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (597 Da, Ligand)
- Cystic fibrosis transmembrane conductance regulator (168 kDa, Protein from Homo sapiens)
- The complex of phosphorylated human delta f508 cystic fibrosis transmembrane conductance regulator (cftr) with elexacaftor (vx-445) and atp/mg (Complex from Homo sapiens)
Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 8eio
Q-score: 0.579
Science (2022) 378 pp. 284-290 [ Pubmed: 36264792 DOI: doi:10.1126/science.ade2216 ]
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Cystic fibrosis transmembrane conductance regulator (1 kDa, Protein from Homo sapiens)
- The complex of phosphorylated human delta f508 cystic fibrosis transmembrane conductance regulator (cftr) with elexacaftor (vx-445), lumacaftor (vx-809) and atp/mg (168 kDa, Complex from Homo sapiens)
- Cholesterol (386 Da, Ligand)
- Dodecane (170 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- (6p)-n-(1,3-dimethyl-1h-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1h-pyrazol-1-yl]-2-[(4s)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (597 Da, Ligand)
- Lumacaftor (452 Da, Ligand)
- Cystic fibrosis transmembrane conductance regulator (168 kDa, Protein from Homo sapiens)
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 8eiq
Q-score: 0.583
Science (2022) 378 pp. 284-290 [ DOI: doi:10.1126/science.ade2216 Pubmed: 36264792 ]
- Tezacaftor (520 Da, Ligand)
- (6p)-n-(1,3-dimethyl-1h-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1h-pyrazol-1-yl]-2-[(4s)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (597 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide (392 Da, Ligand)
- Cystic fibrosis transmembrane conductance regulator (168 kDa, Protein from Homo sapiens)
- Cholesterol (386 Da, Ligand)
- The complex of phosphorylated human delta f508 cystic fibrosis transmembrane conductance regulator (cftr) with trikafta [elexacaftor (vx-445), tezacaftor (vx-661), ivacaftor (vx-770)] and atp/mg (168 kDa, Complex from Homo sapiens)
- Cystic fibrosis transmembrane conductance regulator (1 kDa, Protein from Homo sapiens)
- Dodecane (170 Da, Ligand)
- Adenosine-5'-triphosphate (507 Da, Ligand)