DNA-PK in complex with ATPgammaS
Liang S, Thomas SE, Chaplin AK, Hardwick SW, Chirgadze DY, Blundell TL
Nature (2022) 601 pp. 643-648 [ Pubmed: 34987222 DOI: doi:10.1038/s41586-021-04274-9 ]
Cryo-EM structure of DNA-PKcs in complex with NU7441
Resolution: 3.33 Å
EM Method: Single-particle
Fitted PDBs: 7otm
Q-score: 0.394
Liang S, Thomas SE, Chaplin AK, Hardwick SW, Chirgadze DY, Blundell TL
Nature (2022) 601 pp. 643-648 [ Pubmed: 34987222 DOI: doi:10.1038/s41586-021-04274-9 ]
DNA-PKcs in complex with ATPgammaS-Mg
Resolution: 3.4 Å
EM Method: Single-particle
Fitted PDBs: 7otp
Q-score: 0.414
Liang S, Thomas SE, Chaplin AK, Hardwick SW, Chirgadze DY, Blundell TL
Nature (2022) 601 pp. 643-648 [ Pubmed: 34987222 DOI: doi:10.1038/s41586-021-04274-9 ]
- Dna-dependent protein kinase catalytic subunit,dna-pkcs (471 kDa, Protein from Homo sapiens)
- Dna-pkcs in complex with nu7441 (Complex from Homo sapiens)
- Magnesium ion (24 Da, Ligand)
- Phosphothiophosphoric acid-adenylate ester (523 Da, Ligand)
DNA-PKcs in complex with wortmannin
Resolution: 3.24 Å
EM Method: Single-particle
Fitted PDBs: 7otv
Q-score: 0.308
Liang S, Thomas SE, Chaplin AK, Hardwick SW, Chirgadze DY, Blundell TL
Nature (2022) 601 pp. 643-648 [ Pubmed: 34987222 DOI: doi:10.1038/s41586-021-04274-9 ]
- Dna-dependent protein kinase catalytic subunit,dna-dependent protein kinase catalytic subunit,dna-pkcs (471 kDa, Protein from Homo sapiens)
- (1s,6br,9as,11r,11br)-9a,11b-dimethyl-1-[(methyloxy)methyl]-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3h-furo[4, 3,2-de]indeno[4,5-h][2]benzopyran-11-yl acetate (428 Da, Ligand)
- Dna-pkcs in complex with wortmannin (Complex from Homo sapiens)
DNA-PKcs in complex with AZD7648
Resolution: 2.99 Å
EM Method: Single-particle
Fitted PDBs: 7otw
Q-score: 0.386
Liang S, Thomas SE, Chaplin AK, Hardwick SW, Chirgadze DY, Blundell TL
Nature (2022) 601 pp. 643-648 [ Pubmed: 34987222 DOI: doi:10.1038/s41586-021-04274-9 ]
DNA-PKcs in complex with M3814
Resolution: 2.96 Å
EM Method: Single-particle
Fitted PDBs: 7oty
Q-score: 0.462
Liang S, Thomas SE, Chaplin AK, Hardwick SW, Chirgadze DY, Blundell TL
Nature (2022) 601 pp. 643-648 [ Pubmed: 34987222 DOI: doi:10.1038/s41586-021-04274-9 ]
Cryo-EM structure of NHEJ super-complex (dimer)
Resolution: 4.14 Å
EM Method: Single-particle
Fitted PDBs: 7nfc
Q-score: 0.2
Chaplin AK, Hardwick SW, Stavridi AK, Buehl CJ, Goff NJ, Ropars V, Liang S, De Oliveira TM, Chirgadze DY, Meek K, Charbonnier JB, Blundell TL
Mol Cell (2021) 81 pp. 3400-3409 [ Pubmed: 34352203 DOI: doi:10.1016/j.molcel.2021.07.005 ]
- Dna-dependent protein kinase catalytic subunit,dna-dependent protein kinase catalytic subunit,dna-pkcs (471 kDa, Protein from Homo sapiens)
- Dna-dependent protein kinase catalytic subunit (Cellular component from Homo sapiens)
- Dna ligase 4 (104 kDa, Protein from Homo sapiens)
- Non-homologous end-joining factor 1 (33 kDa, Protein from Homo sapiens)
- Dna repair protein xrcc4 (38 kDa, Protein from Homo sapiens)
- Repair protein and ligase (Cellular component from Homo sapiens)
- Nhej super-complex (dimer) (1 MDa, Cellular component)
- X-ray repair cross-complementing protein 6 (69 kDa, Protein from Homo sapiens)
- Dna (Cellular component from Homo sapiens)
- Dna (28-mer) (8 kDa, DNA from Homo sapiens)
- Dna (27-mer) (8 kDa, DNA from Homo sapiens)
- Dna (27-mer) (8 kDa, DNA from Homo sapiens)
- X-ray repair cross-complementing protein 5 (82 kDa, Protein from Homo sapiens)
- X-ray repair cross-complementing proteins 5 and 6 (Cellular component from Homo sapiens)
Cryo-EM structure of NHEJ super-complex (monomer)
Resolution: 4.29 Å
EM Method: Single-particle
Fitted PDBs: 7nfe
Q-score: 0.203
Chaplin AK, Hardwick SW, Stavridi AK, Buehl CJ, Goff NJ, Ropars V, Liang S, De Oliveira TM, Chirgadze DY, Meek K, Charbonnier JB, Blundell TL
Mol Cell (2021) 81 pp. 3400-3409 [ Pubmed: 34352203 DOI: doi:10.1016/j.molcel.2021.07.005 ]
- Dna-dependent protein kinase catalytic subunit (Cellular component from Homo sapiens)
- Dna ligase 4 (104 kDa, Protein from Homo sapiens)
- Non-homologous end-joining factor 1 (33 kDa, Protein from Homo sapiens)
- Dna-dependent protein kinase catalytic subunit,dna-dependent protein kinase catalytic subunit,dna-dependent protein kinase catalytic subunit (472 kDa, Protein from Homo sapiens)
- Dna repair protein xrcc4 (38 kDa, Protein from Homo sapiens)
- Dna (5'-d(p*ap*ap*tp*ap*ap*ap*cp*tp*ap*ap*ap*ap*ap*cp*tp*ap*tp*tp*ap*tp*tp*ap*tp*g)-3') (7 kDa, DNA from Homo sapiens)
- Non-homologous end-joining factor 1,dna repair protein xrcc4, dna ligase 4 (Cellular component from Homo sapiens)
- X-ray repair cross-complementing protein 6 and 5 (Cellular component from Homo sapiens)
- X-ray repair cross-complementing protein 6 (69 kDa, Protein from Homo sapiens)
- Dna (Cellular component from Homo sapiens)
- Nhej super-complex (monomer) (800 kDa, Cellular component)
- Dna (5'-d(p*tp*ap*ap*tp*ap*ap*tp*ap*gp*tp*tp*tp*tp*tp*ap*gp*tp*tp*tp*ap*tp*tp*ap*g)-3') (7 kDa, DNA from Homo sapiens)
- X-ray repair cross-complementing protein 5 (82 kDa, Protein from Homo sapiens)
Cryo-EM structure of DNA-PKcs (State 2)
Resolution: 3.24 Å
EM Method: Single-particle
Fitted PDBs: 6zfp
Q-score: 0.472
Chaplin AK, Hardwick SW, Liang S, Kefala Stavridi A, Hnizda A, Cooper LR, De Oliveira TM, Chirgadze DY, Blundell TL
Nat Struct Mol Biol (2021) 28 pp. 13-19 [ DOI: doi:10.1038/s41594-020-00517-x Pubmed: 33077952 ]
- Dna-pkcs (470 kDa, Cellular component from Homo sapiens)
- Dna-dependent protein kinase catalytic subunit,dna-pkcs,dna-pkcs (472 kDa, Protein from Homo sapiens)
Cryo-EM structure of DNA-PKcs (State 1)
Resolution: 3.92 Å
EM Method: Single-particle
Fitted PDBs: 6zh2
Q-score: 0.379
Chaplin AK, Hardwick SW, Liang S, Kefala Stavridi A, Hnizda A, Cooper LR, De Oliveira TM, Chirgadze DY, Blundell TL
Nat Struct Mol Biol (2021) 28 pp. 13-19 [ DOI: doi:10.1038/s41594-020-00517-x Pubmed: 33077952 ]
- Dna-dependent protein kinase catalytic subunit,dna-dependent protein kinase catalytic subunit,dna-dependent protein kinase catalytic subunit,dna-dependent protein kinase catalytic subunit,dna-dependent protein kinase catalytic subunit,dna-dependent protein kinase catalytic subunit,dna-dependent protein kinase catalytic subunit,dna-dependent protein kinase catalytic subunit,dna-pkcs (472 kDa, Protein from Homo sapiens)
- Dna-pkcs (state 1) (470 kDa, Cellular component from Homo sapiens)