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))
Coxsackievirus A9 bound with CL213.
Resolution: 2.5 Å
EM Method: Single-particle
Fitted PDBs: 9fp5
Q-score: 0.585
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 ]
- Palmitic acid (256 Da, Ligand)
- Capsid protein vp2 (28 kDa, Protein from Coxsackievirus A9)
- Capsid protein vp4 (7 kDa, Protein from Coxsackievirus A9)
- Human coxsackievirus a9 (strain griggs) (8 MDa, Virus from Human coxsackievirus A9 (strain Griggs))
- Capsid protein vp1 (33 kDa, Protein from Coxsackievirus A9)
- Myristic acid (228 Da, Ligand)
- Capsid protein vp3 (26 kDa, Protein from Coxsackievirus A9)