Single particle reconstruction of LGTV with prME from TBEV
Rosendal E, Bisikalo K, Willekens SM, Lindgren M, Holoubek J, Svoboda P, Lappalainen A, Könighofer E, Mirgorodskaya E, Nordén R, Morini F, Rosenbaum W, Růžek D, Ahlgren U, Anastasina M, Merits A, Butcher SJ, Nilsson E, Överby AK
bioRxiv (2024) [ DOI: 10.1101/2024.10.16.618642 ]
Image sets:
Resolution: 3.22 Å
EM Method: Single-particle
Fitted PDBs: 9fk0
Q-score: 0.415
Rosendal E, Bisikalo K, Willekens SM, Lindgren M, Holoubek J, Svoboda P, Lappalainen A, Konighofer E, Mirgorodskaya E, Norden R, Morini F, Rosenbaum W, Ruzek D, Ahlgren U, Anastasina M, Merits A, Butcher SJ, Nilsson E, Overby AK
bioRxiv (2024) [ DOI: doi:10.1101/2024.10.16.618642 ]
- Envelope protein e (Complex from tick-borne encephalitis virus-European subtype)
- Lgtv with tbev prme (Virus)
- 1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine (758 Da, Ligand)
- Genome polyprotein (8 kDa, Protein from tick-borne encephalitis virus-European subtype)
- Small envelope protein m (Complex from tick-borne encephalitis virus-European subtype)
- Genome polyprotein,envelope protein e (53 kDa, Protein from Langat virus (strain TP21))
LGTV TP21. Langat virus, strain TP21
Resolution: 3.82 Å
EM Method: Single-particle
Fitted PDBs: 9foj
Q-score: 0.332
Rosendal E, Bisikalo K, Willekens SM, Lindgren M, Holoubek J, Svoboda P, Lappalainen A, Konighofer E, Mirgorodskaya E, Norden R, Morini F, Rosenbaum W, Ruzek D, Ahlgren U, Anastasina M, Merits A, Butcher SJ, Nilsson E, Overby AK
bioRxiv (2024) [ DOI: doi:10.1101/2024.10.16.618642 ]
- 1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine (758 Da, Ligand)
- Envelope protein e (53 kDa, Protein from Langat virus (strain TP21))
- Small envelope protein m (8 kDa, Protein from Langat virus (strain TP21))
- Langat virus (strain tp21) (Virus from Langat virus (strain TP21))
Coxsackievirus A9 bound with compound 20 (CL300)
Resolution: 2.26 Å
EM Method: Single-particle
Fitted PDBs: 8s7j
Q-score: 0.598
Tammaro C, Plavec Z, Myllymaki L, Mitchell C, Consalvi S, Biava M, Ciogli A, Domanska A, Leppilampi V, Buckner C, Manetto S, Scio P, Coluccia A, Laajala M, Dondio GM, Bigogno C, Marjomaki V, Butcher SJ, Poce G
J Med Chem (2024) 67 pp. 17144-17161 [ Pubmed: 39292620 DOI: doi:10.1021/acs.jmedchem.4c00701 ]
- Capsid protein vp4 (7 kDa, Protein from Human coxsackievirus A9 (strain Griggs))
- Capsid protein vp2 (28 kDa, Protein from Human coxsackievirus A9 (strain Griggs))
- Human coxsackievirus a9 (strain griggs) (8 MDa, Virus from Human coxsackievirus A9 (strain Griggs))
- Capsid protein vp1 (33 kDa, Protein from Human coxsackievirus A9 (strain Griggs))
- Capsid protein vp3 (26 kDa, Protein from Human coxsackievirus A9 (strain Griggs))
- Myristic acid (228 Da, Ligand)
- ~{n}-[(4-methoxyphenyl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]aniline (325 Da, Ligand)
Coxsackievirus A9 bound with compound 14 (CL275)
Resolution: 2.31 Å
EM Method: Single-particle
Fitted PDBs: 9exi
Q-score: 0.584
Tammaro C, Plavec Z, Myllymaki L, Mitchell C, Consalvi S, Biava M, Ciogli A, Domanska A, Leppilampi V, Buckner C, Manetto S, Scio P, Coluccia A, Laajala M, Dondio GM, Bigogno C, Marjomaki V, Butcher SJ, Poce G
J Med Chem (2024) 67 pp. 17144-17161 [ Pubmed: 39292620 DOI: doi:10.1021/acs.jmedchem.4c00701 ]
- 4-[(4-methylpiperazin-1-yl)methyl]-n-[[4-(trifluoromethyl)phenyl]methyl]aniline (363 Da, Ligand)
- Capsid protein vp2 (27 kDa, Protein from Human coxsackievirus A9 (strain Griggs))
- Capsid protein vp4 (7 kDa, Protein from Human coxsackievirus A9 (strain Griggs))
- Capsid protein vp1 (32 kDa, Protein from Human coxsackievirus A9 (strain Griggs))
- Coxsackievirus a9 (8 MDa, Virus from Coxsackievirus A9)
- Capsid protein vp3 (26 kDa, Protein from Human coxsackievirus A9 (strain Griggs))
- Myristic acid (228 Da, Ligand)
Coxsackievirus A9 bound with compound 16 (CL298)
Resolution: 2.75 Å
EM Method: Single-particle
Fitted PDBs: 9fa9
Q-score: 0.553
Tammaro C, Plavec Z, Myllymaki L, Mitchell C, Consalvi S, Biava M, Ciogli A, Domanska A, Leppilampi V, Buckner C, Manetto S, Scio P, Coluccia A, Laajala M, Dondio GM, Bigogno C, Marjomaki V, Butcher SJ, Poce G
J Med Chem (2024) 67 pp. 17144-17161 [ Pubmed: 39292620 DOI: doi:10.1021/acs.jmedchem.4c00701 ]
- ~{n}-[(2-fluorophenyl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]aniline (313 Da, Ligand)
- Capsid protein vp4 (7 kDa, Protein from Human coxsackievirus A9 (strain Griggs))
- Capsid protein vp2 (28 kDa, Protein from Human coxsackievirus A9 (strain Griggs))
- Capsid protein vp1 (32 kDa, Protein from Human coxsackievirus A9 (strain Griggs))
- Coxsackievirus a9 (8 MDa, Virus from Coxsackievirus A9)
- Capsid protein vp3 (26 kDa, Protein from Human coxsackievirus A9 (strain Griggs))
Coxsackievirus A9 bound with compound 17 (CL301)
Resolution: 2.53 Å
EM Method: Single-particle
Fitted PDBs: 9fcz
Q-score: 0.573
Tammaro C, Plavec Z, Myllymaki L, Mitchell C, Consalvi S, Biava M, Ciogli A, Domanska A, Leppilampi V, Buckner C, Manetto S, Scio P, Coluccia A, Laajala M, Dondio GM, Bigogno C, Marjomaki V, Butcher SJ, Poce G
J Med Chem (2024) 67 pp. 17144-17161 [ Pubmed: 39292620 DOI: doi:10.1021/acs.jmedchem.4c00701 ]
- ~{n}-[(3-fluorophenyl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]aniline (313 Da, Ligand)
- Capsid protein vp2 (27 kDa, Protein from Human coxsackievirus A9 (strain Griggs))
- Capsid protein vp4 (7 kDa, Protein from Human coxsackievirus A9 (strain Griggs))
- Human coxsackievirus a9 (strain griggs) (8 MDa, Virus from Human coxsackievirus A9 (strain Griggs))
- Capsid protein vp1 (32 kDa, Protein from Human coxsackievirus A9 (strain Griggs))
- Capsid protein vp3 (26 kDa, Protein from Human coxsackievirus A9 (strain Griggs))
- Myristic acid (228 Da, Ligand)
Coxsackievirus A9 bound with compound 18 (CL304)
Resolution: 2.64 Å
EM Method: Single-particle
Fitted PDBs: 9fgn
Q-score: 0.556
Tammaro C, Plavec Z, Myllymaki L, Mitchell C, Consalvi S, Biava M, Ciogli A, Domanska A, Leppilampi V, Buckner C, Manetto S, Scio P, Coluccia A, Laajala M, Dondio GM, Bigogno C, Marjomaki V, Butcher SJ, Poce G
J Med Chem (2024) 67 pp. 17144-17161 [ Pubmed: 39292620 DOI: doi:10.1021/acs.jmedchem.4c00701 ]
- Capsid protein vp2 (27 kDa, Protein from Coxsackievirus A9)
- Human coxsackievirus a9 (strain griggs) (8 MDa, Virus from Human coxsackievirus A9 (strain Griggs))
- Capsid protein vp3 (26 kDa, Protein from Coxsackievirus A9)
- ~{n}-[[2,4-bis(fluoranyl)phenyl]methyl]-4-[(4-methylpiperazin-1-yl)methyl]aniline (331 Da, Ligand)
- Capsid protein vp1 (31 kDa, Protein from Coxsackievirus A9)
- Capsid protein vp4 (7 kDa, Protein from Coxsackievirus A9)
Coxsackievirus A9 bound with compound 15 (CL278)
Resolution: 2.58 Å
EM Method: Single-particle
Fitted PDBs: 9fo2
Q-score: 0.577
Tammaro C, Plavec Z, Myllymaki L, Mitchell C, Consalvi S, Biava M, Ciogli A, Domanska A, Leppilampi V, Buckner C, Manetto S, Scio P, Coluccia A, Laajala M, Dondio GM, Bigogno C, Marjomaki V, Butcher SJ, Poce G
J Med Chem (2024) 67 pp. 17144-17161 [ Pubmed: 39292620 DOI: doi:10.1021/acs.jmedchem.4c00701 ]
- Capsid protein vp2 (27 kDa, Protein from Human coxsackievirus A9 (strain Griggs))
- ~{n}-[(4-fluorophenyl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]aniline (313 Da, Ligand)
- Capsid protein vp4 (7 kDa, Protein from Human coxsackievirus A9 (strain Griggs))
- Capsid protein vp1 (33 kDa, Protein from Human coxsackievirus A9 (strain Griggs))
- Coxsackievirus a9 (8 MDa, Virus from Coxsackievirus A9)
- Capsid protein vp3 (26 kDa, Protein from Human coxsackievirus A9 (strain Griggs))
- Myristic acid (228 Da, Ligand)
Coxsackievirus A9 bound with compound 19 (CL313)
Resolution: 2.69 Å
EM Method: Single-particle
Fitted PDBs: 9fo5
Q-score: 0.544
Tammaro C, Plavec Z, Myllymaki L, Mitchell C, Consalvi S, Biava M, Ciogli A, Domanska A, Leppilampi V, Buckner C, Manetto S, Scio P, Coluccia A, Laajala M, Dondio GM, Bigogno C, Marjomaki V, Butcher SJ, Poce G
J Med Chem (2024) 67 pp. 17144-17161 [ Pubmed: 39292620 DOI: doi:10.1021/acs.jmedchem.4c00701 ]
- Capsid protein vp4 (7 kDa, Protein from Human coxsackievirus A9 (strain Griggs))
- Capsid protein vp2 (28 kDa, Protein from Human coxsackievirus A9 (strain Griggs))
- Capsid protein vp1 (33 kDa, Protein from Human coxsackievirus A9 (strain Griggs))
- ~{n}-[[3,4-bis(fluoranyl)phenyl]methyl]-4-[(4-methylpiperazin-1-yl)methyl]aniline (331 Da, Ligand)
- Coxsackievirus a9 (8 MDa, Virus from Coxsackievirus A9)
- Capsid protein vp3 (26 kDa, Protein from Human coxsackievirus A9 (strain Griggs))