CryoEM structure of compound HNC-1664 bound with RdRP-RNA complex of SARS-CoV-2
Resolution: 3.29 Å
EM Method: Single-particle
Fitted PDBs: 8xko
Q-score: 0.486
Jia X, Jing X, Li M, Gao M, Zhong Y, Li E, Liu Y, Li R, Yao G, Liu Q, Zhou M, Hou Y, An L, Hong Y, Li S, Zhang J, Wang W, Zhang K, Gong P, Chiu S
Nat Commun (2024) 15 pp. 10750-10750 [ Pubmed: 39737930 DOI: doi:10.1038/s41467-024-54918-3 ]
- Magnesium ion (24 Da, Ligand)
- Cryoem structure of compound hnc-1644 bound with rdrp-rna (150 kDa, Complex from Severe acute respiratory syndrome coronavirus)
- Rna (5'-r(p*up*up*cp*ap*up*gp*cp*up*ap*cp*gp*cp*gp*up*ap*g)-3') (5 kDa, RNA from synthetic construct)
- Rna (5'-r(p*cp*up*ap*cp*gp*cp*gp*up*ap*gp*cp*ap*up*g)-3') (4 kDa, RNA from synthetic construct)
- Non-structural protein 8 (23 kDa, Protein from Severe acute respiratory syndrome coronavirus)
- Non-structural protein 7 (10 kDa, Protein from Severe acute respiratory syndrome coronavirus)
- [[(2~{r},3~{r},4~{s},5~{r})-4-fluoranyl-5-(5-iodanyl-4-methyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate (633 Da, Ligand)
- Rna-directed rna polymerase nsp12 (108 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
Resolution: 3.5 Å
EM Method: Single-particle
Fitted PDBs: 7xog
Q-score: 0.294
Tan S, Zhao J, Hu X, Li Y, Wu Z, Lu G, Yu Z, Du B, Liu Y, Li L, Chen Y, Li Y, Yao Y, Zhang X, Rao J, Gao G, Peng Y, Liu H, Yuan Z, Liu J, Wang Q, Hu H, Gao X, Zhou H, Yu H, Xu Y, Yu W, Feng L, Wang M, Shan C, Lu J, Lin J
Sci Bull (Beijing) (2023) 68 pp. 3192-3206 [ DOI: doi:10.1016/j.scib.2023.11.024 Pubmed: 37993332 ]
- Severe acute respiratory syndrome coronavirus (Complex from Severe acute respiratory syndrome coronavirus)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Spike glycoprotein,peptide (142 kDa, Protein from synthetic construct)
- Alpha-d-mannopyranose (180 Da, Ligand)
Cryo-EM map of SARS-CoV-2 Omicron BA.2 spike in complex with 2130-1-0114-112
Resolution: 3.6 Å
EM Method: Single-particle
Fitted PDBs: 8ekd
Q-score: 0.433
Desautels TA, Arrildt KT, Zemla AT, Lau EY, Zhu F, Ricci D, Cronin S, Zost SJ, Binshtein E, Scheaffer SM, Dadonaite B, Petersen BK, Engdahl TB, Chen E, Handal LS, Hall L, Goforth JW, Vashchenko D, Nguyen S, Weilhammer DR, Lo JK, Rubinfeld B, Saada EA, Weisenberger T, Lee TH, Whitener B, Case JB, Ladd A, Silva MS, Haluska RM, Grzesiak EA, Earnhart CG, Hopkins S, Bates TW, Thackray LB, Segelke BW, Lillo AM, Sundaram S, Bloom JD, Diamond MS, Crowe Jr JE, Carnahan RH, Faissol DM
Nature (2024) 629 pp. 878-885 [ DOI: doi:10.1038/s41586-024-07385-1 Pubmed: 38720086 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Fab llnl-199 hc (14 kDa, Protein from Homo sapiens)
- Fab llnl-199 lc (12 kDa, Protein from Homo sapiens)
- Sars cov2 omicron ba.2 rbd (Complex from Severe acute respiratory syndrome coronavirus)
- Sars cov2 omicron ba.2 rbd complex with fab llnl-199 (Complex)
- Fab llnl-199 (Complex from Homo sapiens)
- Spike protein s2' (20 kDa, Protein from Severe acute respiratory syndrome coronavirus)
Resolution: 3.9 Å
EM Method: Single-particle
Fitted PDBs: 7xoe
Q-score: 0.301
Tan S, Zhao J, Hu X, Li Y, Wu Z, Lu G, Yu Z, Du B, Liu Y, Li L, Chen Y, Li Y, Yao Y, Zhang X, Rao J, Gao G, Peng Y, Liu H, Yuan Z, Liu J, Wang Q, Hu H, Gao X, Zhou H, Yu H, Xu Y, Yu W, Feng L, Wang M, Shan C, Lu J, Lin J
Sci Bull (Beijing) (2023) 68 pp. 3192-3206 [ DOI: doi:10.1016/j.scib.2023.11.024 Pubmed: 37993332 ]
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 8sq9
Q-score: 0.528
Small GI, Fedorova O, Olinares PDB, Chandanani J, Banerjee A, Choi YJ, Molina H, Chait BT, Darst SA, Campbell EA
Mol Cell (2023) 83 pp. 3921-3930.e7 [ Pubmed: 37890482 DOI: doi:10.1016/j.molcel.2023.10.001 ]
- Zinc ion (65 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Non-structural protein 9 (12 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- Rna-directed rna polymerase (106 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- Sars-cov-2 replication-transcription complex bound to nsp9 and umpcpp, as a pre-catalytic nmpylation intermediate (Complex from Severe acute respiratory syndrome coronavirus 2)
- Template rna (17 kDa, RNA from Severe acute respiratory syndrome coronavirus)
- Non-structural protein 7 (9 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- Primer rna (11 kDa, RNA from Severe acute respiratory syndrome coronavirus)
- Non-structural protein 8 (21 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- Water (18 Da, Ligand)
- 5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine (482 Da, Ligand)
Resolution: 3.06 Å
EM Method: Single-particle
Fitted PDBs: 8sqj
Q-score: 0.511
Small GI, Fedorova O, Olinares PDB, Chandanani J, Banerjee A, Choi YJ, Molina H, Chait BT, Darst SA, Campbell EA
Mol Cell (2023) 83 pp. 3921-3930.e7 [ Pubmed: 37890482 DOI: doi:10.1016/j.molcel.2023.10.001 ]
- Magnesium ion (24 Da, Ligand)
- Zinc ion (65 Da, Ligand)
- Sars-cov-2 5' utr (6 kDa, RNA from Severe acute respiratory syndrome coronavirus 2)
- Non-structural protein 9 (12 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- Rna-directed rna polymerase (106 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- Primer rna (11 kDa, RNA from Severe acute respiratory syndrome coronavirus)
- 5'-o-[(r)-hydroxy(thiophosphonooxy)phosphoryl]guanosine (459 Da, Ligand)
- Template rna (17 kDa, RNA from Severe acute respiratory syndrome coronavirus)
- Non-structural protein 7 (9 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- Water (18 Da, Ligand)
- Non-structural protein 8 (21 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- Sars-cov-2 replication-transcription complex bound to rna-nsp9, as a noncatalytic rna-nsp9 binding mode (Complex from Severe acute respiratory syndrome coronavirus 2)
Resolution: 3.01 Å
EM Method: Single-particle
Fitted PDBs: 8sqk
Q-score: 0.533
Small GI, Fedorova O, Olinares PDB, Chandanani J, Banerjee A, Choi YJ, Molina H, Chait BT, Darst SA, Campbell EA
Mol Cell (2023) 83 pp. 3921-3930.e7 [ Pubmed: 37890482 DOI: doi:10.1016/j.molcel.2023.10.001 ]
- Zinc ion (65 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Rna-directed rna polymerase nsp12 (106 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- Sars-cov-2 5' utr (6 kDa, RNA from Severe acute respiratory syndrome coronavirus 2)
- Non-structural protein 9 (12 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- 5'-o-[(r)-hydroxy(thiophosphonooxy)phosphoryl]guanosine (459 Da, Ligand)
- Non-structural protein 7 (9 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- Water (18 Da, Ligand)
- Non-structural protein 8 (21 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- Template rna (11 kDa, RNA from Severe acute respiratory syndrome coronavirus)
- Primer rna (10 kDa, RNA from Severe acute respiratory syndrome coronavirus)
- Sars-cov-2 replication-transcription complex bound to rna-nsp9 and gdp-betas, as a pre-catalytic dernaylation/mrna capping intermediate (Complex from Severe acute respiratory syndrome coronavirus 2)
Resolution: 3.1 Å
EM Method: Single-particle
Fitted PDBs: 8fxb
Q-score: 0.469
Addetia A, Piccoli L, Case JB, Park YJ, Beltramello M, Guarino B, Dang H, de Melo GD, Pinto D, Sprouse K, Scheaffer SM, Bassi J, Silacci-Fregni C, Muoio F, Dini M, Vincenzetti L, Acosta R, Johnson D, Subramanian S, Saliba C, Giurdanella M, Lombardo G, Leoni G, Culap K, McAlister C, Rajesh A, Dellota Jr E, Zhou J, Farhat N, Bohan D, Noack J, Chen A, Lempp FA, Quispe J, Kergoat L, Larrous F, Cameroni E, Whitener B, Giannini O, Cippa P, Ceschi A, Ferrari P, Franzetti-Pellanda A, Biggiogero M, Garzoni C, Zappi S, Bernasconi L, Kim MJ, Rosen LE, Schnell G, Czudnochowski N, Benigni F, Franko N, Logue JK, Yoshiyama C, Stewart C, Chu H, Bourhy H, Schmid MA, Purcell LA, Snell G, Lanzavecchia A, Diamond MS, Corti D, Veesler D
Nature (2023) 621 pp. 592-601 [ Pubmed: 37648855 DOI: doi:10.1038/s41586-023-06487-6 ]
- S309 light chain (23 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Spike protein s1 (28 kDa, Protein from Severe acute respiratory syndrome coronavirus)
- Sars-cov-2 xbb.1 spike rbd bound to the human ace2 ectodomain and the s309 neutralizing antibody fab fragment (Complex from Severe acute respiratory syndrome coronavirus 2)
- S309 heavy chain (50 kDa, Protein from Homo sapiens)
- Sars-cov-2 xbb.1 spike rbd bound to the human ace2 ectodomain and the s309 neutralizing antibody fab fragment (Complex from Severe acute respiratory syndrome coronavirus 2)
- Processed angiotensin-converting enzyme 2 (74 kDa, Protein from Homo sapiens)
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 8s9g
Q-score: 0.473
Addetia A, Piccoli L, Case JB, Park YJ, Beltramello M, Guarino B, Dang H, de Melo GD, Pinto D, Sprouse K, Scheaffer SM, Bassi J, Silacci-Fregni C, Muoio F, Dini M, Vincenzetti L, Acosta R, Johnson D, Subramanian S, Saliba C, Giurdanella M, Lombardo G, Leoni G, Culap K, McAlister C, Rajesh A, Dellota Jr E, Zhou J, Farhat N, Bohan D, Noack J, Chen A, Lempp FA, Quispe J, Kergoat L, Larrous F, Cameroni E, Whitener B, Giannini O, Cippa P, Ceschi A, Ferrari P, Franzetti-Pellanda A, Biggiogero M, Garzoni C, Zappi S, Bernasconi L, Kim MJ, Rosen LE, Schnell G, Czudnochowski N, Benigni F, Franko N, Logue JK, Yoshiyama C, Stewart C, Chu H, Bourhy H, Schmid MA, Purcell LA, Snell G, Lanzavecchia A, Diamond MS, Corti D, Veesler D
Nature (2023) 621 pp. 592-601 [ Pubmed: 37648855 DOI: doi:10.1038/s41586-023-06487-6 ]
- S309 fab heavy chain (24 kDa, Protein from Homo sapiens)
- S309 fab light chain (23 kDa, Protein from Homo sapiens)
- Sars-cov-2 bn.1 spike rbd bound to the human ace2 ectodomain and the s309 neutralizing antibody fab fragment (Complex from Severe acute respiratory syndrome coronavirus 2)
- Processed angiotensin-converting enzyme 2 (74 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Spike glycoprotein (28 kDa, Protein from Severe acute respiratory syndrome coronavirus)
- Sars-cov-2 bn.1 spike rbd bound to the human ace2 ectodomain and the s309 neutralizing antibody fab fragment (Complex from Severe acute respiratory syndrome coronavirus 2)
SARS Cov2 Spike RBD in complex with Fab47
Resolution: 2.64 Å
EM Method: Single-particle
Fitted PDBs: 8a95
Q-score: 0.269
Pushparaj P, Nicoletto A, Sheward DJ, Das H, Castro Dopico X, Perez Vidakovics L, Hanke L, Chernyshev M, Narang S, Kim S, Fischbach J, Ekstrom S, McInerney G, Hallberg BM, Murrell B, Corcoran M, Karlsson Hedestam GB
Immunity (2023) 56 pp. 193-206.e7 [ DOI: doi:10.1016/j.immuni.2022.12.005 Pubmed: 36574772 ]
- Fab47 (heavy chain variable domain) (13 kDa, Protein from Homo sapiens)
- Sars-cov2 trimeric spike in 1-up conformation in complex with three fab47 (142 kDa, Protein from Severe acute respiratory syndrome coronavirus)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Fab47 (light chain variable domain) (11 kDa, Protein from Homo sapiens)
- Sars-cov-2 spike in complex with fab47 (629 MDa, Complex from Homo sapiens)