Cryo-EM structure of CAK in complex with inhibitor BS-181
Resolution: 1.9 Å
EM Method: Single-particle
Fitted PDBs: 8p6w
Q-score: 0.727
Cushing VI, Koh AF, Feng J, Jurgaityte K, Bondke A, Kroll SHB, Barbazanges M, Scheiper B, Bahl AK, Barrett AGM, Ali S, Kotecha A, Greber BJ
Nat Commun (2024) 15 pp. 2265-2265 [ Pubmed: 38480681 DOI: doi:10.1038/s41467-024-46375-9 ]
- Cdk-activating kinase assembly factor mat1 (10 kDa, Protein from Homo sapiens)
- Cdk-activating kinase (85 kDa, Complex from Homo sapiens)
- Cyclin-dependent kinase 7 (39 kDa, Protein from Homo sapiens)
- ~{n}5-(6-azanylhexyl)-~{n}7-(phenylmethyl)-3-propan-2-yl-pyrazolo[1,5-a]pyrimidine-5,7-diamine (380 Da, Ligand)
- Cyclin-h (37 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
Cryo-EM structure of CAK in complex with inhibitor BS-194
Resolution: 1.9 Å
EM Method: Single-particle
Fitted PDBs: 8p6x
Q-score: 0.695
Cushing VI, Koh AF, Feng J, Jurgaityte K, Bondke A, Kroll SHB, Barbazanges M, Scheiper B, Bahl AK, Barrett AGM, Ali S, Kotecha A, Greber BJ
Nat Commun (2024) 15 pp. 2265-2265 [ Pubmed: 38480681 DOI: doi:10.1038/s41467-024-46375-9 ]
- Cdk-activating kinase assembly factor mat1 (10 kDa, Protein from Homo sapiens)
- Cdk-activating kinase (85 kDa, Complex from Homo sapiens)
- Cyclin-dependent kinase 7 (39 kDa, Protein from Homo sapiens)
- (2s,3s)-3-{[7-(benzylamino)-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol (385 Da, Ligand)
- Cyclin-h (37 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
Cryo-EM structure of CAK in complex with inhibitor ICEC0768
Resolution: 1.9 Å
EM Method: Single-particle
Fitted PDBs: 8p72
Q-score: 0.692
Cushing VI, Koh AF, Feng J, Jurgaityte K, Bondke A, Kroll SHB, Barbazanges M, Scheiper B, Bahl AK, Barrett AGM, Ali S, Kotecha A, Greber BJ
Nat Commun (2024) 15 pp. 2265-2265 [ Pubmed: 38480681 DOI: doi:10.1038/s41467-024-46375-9 ]
- Cdk-activating kinase assembly factor mat1 (10 kDa, Protein from Homo sapiens)
- Cdk-activating kinase (85 kDa, Complex from Homo sapiens)
- Cyclin-dependent kinase 7 (39 kDa, Protein from Homo sapiens)
- Cyclin-h (37 kDa, Protein from Homo sapiens)
- ~{n}7-(phenylmethyl)-~{n}5-[(3~{s})-piperidin-3-yl]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidine-5,7-diamine (364 Da, Ligand)
- Water (18 Da, Ligand)
Cryo-EM structure of CAK in complex with inhibitor ICEC0943
Resolution: 1.8 Å
EM Method: Single-particle
Fitted PDBs: 8p77
Q-score: 0.719
Cushing VI, Koh AF, Feng J, Jurgaityte K, Bondke A, Kroll SHB, Barbazanges M, Scheiper B, Bahl AK, Barrett AGM, Ali S, Kotecha A, Greber BJ
Nat Commun (2024) 15 pp. 2265-2265 [ Pubmed: 38480681 DOI: doi:10.1038/s41467-024-46375-9 ]
- Cdk-activating kinase assembly factor mat1 (10 kDa, Protein from Homo sapiens)
- Cdk-activating kinase (85 kDa, Complex from Homo sapiens)
- Cyclin-dependent kinase 7 (39 kDa, Protein from Homo sapiens)
- (3s,4s)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (394 Da, Ligand)
- Cyclin-h (37 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
Cryo-EM structure of CAK in complex with inhibitor dinaciclib
Resolution: 1.9 Å
EM Method: Single-particle
Fitted PDBs: 8p78
Q-score: 0.729
Cushing VI, Koh AF, Feng J, Jurgaityte K, Bondke A, Kroll SHB, Barbazanges M, Scheiper B, Bahl AK, Barrett AGM, Ali S, Kotecha A, Greber BJ
Nat Commun (2024) 15 pp. 2265-2265 [ Pubmed: 38480681 DOI: doi:10.1038/s41467-024-46375-9 ]
- Cdk-activating kinase assembly factor mat1 (10 kDa, Protein from Homo sapiens)
- Cdk-activating kinase (85 kDa, Complex from Homo sapiens)
- Cyclin-dependent kinase 7 (39 kDa, Protein from Homo sapiens)
- Cyclin-h (37 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
- 3-[({3-ethyl-5-[(2s)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium (397 Da, Ligand)
Cryo-EM structure of CAK with averaged inhibitor density
Resolution: 1.7 Å
EM Method: Single-particle
Fitted PDBs: 8p79
Q-score: 0.727
Cushing VI, Koh AF, Feng J, Jurgaityte K, Bondke A, Kroll SHB, Barbazanges M, Scheiper B, Bahl AK, Barrett AGM, Ali S, Kotecha A, Greber BJ
Nat Commun (2024) 15 pp. 2265-2265 [ Pubmed: 38480681 DOI: doi:10.1038/s41467-024-46375-9 ]
- Cdk-activating kinase assembly factor mat1 (10 kDa, Protein from Homo sapiens)
- Cdk-activating kinase (85 kDa, Complex from Homo sapiens)
- Cyclin-dependent kinase 7 (39 kDa, Protein from Homo sapiens)
- Cyclin-h (37 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
Cryo-EM structure of CAK in complex with inhibitor CT7030
Resolution: 1.9 Å
EM Method: Single-particle
Fitted PDBs: 8plz
Q-score: 0.716
Cushing VI, Koh AF, Feng J, Jurgaityte K, Bondke A, Kroll SHB, Barbazanges M, Scheiper B, Bahl AK, Barrett AGM, Ali S, Kotecha A, Greber BJ
Nat Commun (2024) 15 pp. 2265-2265 [ Pubmed: 38480681 DOI: doi:10.1038/s41467-024-46375-9 ]
- Cdk-activating kinase assembly factor mat1 (10 kDa, Protein from Homo sapiens)
- Cdk-activating kinase (85 kDa, Complex from Homo sapiens)
- Cyclin-dependent kinase 7 (39 kDa, Protein from Homo sapiens)
- (3~{r},4~{r})-4-[[[7-[(2-methoxyphenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (424 Da, Ligand)
- Cyclin-h (37 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
Resolution: 1.9 Å
EM Method: Single-particle
Fitted PDBs: 8orm
Q-score: 0.744
Cushing VI, Koh AF, Feng J, Jurgaityte K, Bondke A, Kroll SHB, Barbazanges M, Scheiper B, Bahl AK, Barrett AGM, Ali S, Kotecha A, Greber BJ
Nat Commun (2024) 15 pp. 2265-2265 [ Pubmed: 38480681 DOI: doi:10.1038/s41467-024-46375-9 ]
- Cdk-activating kinase assembly factor mat1 (10 kDa, Protein from Homo sapiens)
- Cdk-activating kinase (85 kDa, Complex from Homo sapiens)
- Cyclin-dependent kinase 7 (39 kDa, Protein from Homo sapiens)
- Cyclin-h (37 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
- N-(3-{[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino}phenyl)-4-{[4-(dimethylamino)butanoyl]amino}benzamide (568 Da, Ligand)
Cryo-EM structure of CAK in complex with inhibitor ICEC0942
Resolution: 1.9 Å
EM Method: Single-particle
Fitted PDBs: 8p6v
Q-score: 0.696
Cushing VI, Koh AF, Feng J, Jurgaityte K, Bondke A, Kroll SHB, Barbazanges M, Scheiper B, Bahl AK, Barrett AGM, Ali S, Kotecha A, Greber BJ
Nat Commun (2024) 15 pp. 2265-2265 [ Pubmed: 38480681 DOI: doi:10.1038/s41467-024-46375-9 ]
- Cdk-activating kinase assembly factor mat1 (10 kDa, Protein from Homo sapiens)
- (3r,4r)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (394 Da, Ligand)
- Cdk-activating kinase (85 kDa, Complex from Homo sapiens)
- Cyclin-dependent kinase 7 (39 kDa, Protein from Homo sapiens)
- Cyclin-h (37 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
Cryo-EM structure of CAK in complex with nucleotide analogue ATPgS
Resolution: 1.9 Å
EM Method: Single-particle
Fitted PDBs: 8p6y
Q-score: 0.742
Cushing VI, Koh AF, Feng J, Jurgaityte K, Bondke A, Kroll SHB, Barbazanges M, Scheiper B, Bahl AK, Barrett AGM, Ali S, Kotecha A, Greber BJ
Nat Commun (2024) 15 pp. 2265-2265 [ Pubmed: 38480681 DOI: doi:10.1038/s41467-024-46375-9 ]
- Phosphothiophosphoric acid-adenylate ester (523 Da, Ligand)
- Cdk-activating kinase assembly factor mat1 (10 kDa, Protein from Homo sapiens)
- Cdk-activating kinase (85 kDa, Complex from Homo sapiens)
- Cyclin-dependent kinase 7 (39 kDa, Protein from Homo sapiens)
- Cyclin-h (37 kDa, Protein from Homo sapiens)
- Magnesium ion (24 Da, Ligand)
- Water (18 Da, Ligand)