Human CTPS1 bound to UTP, AMPPNP, and glutamine
Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 7mgz
Q-score: 0.55
Lynch EM, DiMattia MA, Albanese S, van Zundert GCP, Hansen JM, Quispe JD, Kennedy MA, Verras A, Borrelli K, Toms AV, Kaila N, Kreutter KD, McElwee JJ, Kollman JM
PNAS (2021) 118 [ DOI: doi:10.1073/pnas.2107968118 Pubmed: 34583994 ]
- Magnesium ion (24 Da, Ligand)
- Phosphoaminophosphonic acid-adenylate ester (506 Da, Ligand)
- Ctps1 tetramer (Complex from Homo sapiens)
- Ctp synthase 1 (66 kDa, Protein from Homo sapiens)
- Glutamine (146 Da, Ligand)
- Uridine 5'-triphosphate (484 Da, Ligand)
Resolution: 6.2 Å
EM Method: Single-particle
Fitted PDBs: 7mh0
Q-score: 0.205
Lynch EM, DiMattia MA, Albanese S, van Zundert GCP, Hansen JM, Quispe JD, Kennedy MA, Verras A, Borrelli K, Toms AV, Kaila N, Kreutter KD, McElwee JJ, Kollman JM
PNAS (2021) 118 [ DOI: doi:10.1073/pnas.2107968118 Pubmed: 34583994 ]
- Ctp synthase 1 (66 kDa, Protein from Homo sapiens)
- Magnesium ion (24 Da, Ligand)
- Cytidine-5'-triphosphate (483 Da, Ligand)
- Ctps1 tetramer (Complex from Homo sapiens)
Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 7mh1
Q-score: 0.536
Lynch EM, DiMattia MA, Albanese S, van Zundert GCP, Hansen JM, Quispe JD, Kennedy MA, Verras A, Borrelli K, Toms AV, Kaila N, Kreutter KD, McElwee JJ, Kollman JM
PNAS (2021) 118 [ DOI: doi:10.1073/pnas.2107968118 Pubmed: 34583994 ]
- Magnesium ion (24 Da, Ligand)
- Cytidine-5'-triphosphate (483 Da, Ligand)
- Ctp synthase 2 (65 kDa, Protein from Homo sapiens)
- Ctps2 tetramer (Complex from Homo sapiens)
Human CTPS1 bound to inhibitor R80
Resolution: 3.1 Å
EM Method: Single-particle
Fitted PDBs: 7mif
Q-score: 0.471
Lynch EM, DiMattia MA, Albanese S, van Zundert GCP, Hansen JM, Quispe JD, Kennedy MA, Verras A, Borrelli K, Toms AV, Kaila N, Kreutter KD, McElwee JJ, Kollman JM
PNAS (2021) 118 [ DOI: doi:10.1073/pnas.2107968118 Pubmed: 34583994 ]
- Magnesium ion (24 Da, Ligand)
- Ctps1 tetramer (Complex from Homo sapiens)
- Ctp synthase 1 (66 kDa, Protein from Homo sapiens)
- N-(1-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}cyclopropyl)-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide (486 Da, Ligand)
- Glutamine (146 Da, Ligand)
- Uridine 5'-triphosphate (484 Da, Ligand)
Human CTPS1 bound to inhibitor T35
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 7mig
Q-score: 0.538
Lynch EM, DiMattia MA, Albanese S, van Zundert GCP, Hansen JM, Quispe JD, Kennedy MA, Verras A, Borrelli K, Toms AV, Kaila N, Kreutter KD, McElwee JJ, Kollman JM
PNAS (2021) 118 [ DOI: doi:10.1073/pnas.2107968118 Pubmed: 34583994 ]
- Magnesium ion (24 Da, Ligand)
- Ctps1 tetramer (Complex from Homo sapiens)
- Ctp synthase 1 (66 kDa, Protein from Homo sapiens)
- Glutamine (146 Da, Ligand)
- 2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-n-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide (512 Da, Ligand)
- Uridine 5'-triphosphate (484 Da, Ligand)
Human CTPS2 bound to inhibitor R80
Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 7mih
Q-score: 0.55
Lynch EM, DiMattia MA, Albanese S, van Zundert GCP, Hansen JM, Quispe JD, Kennedy MA, Verras A, Borrelli K, Toms AV, Kaila N, Kreutter KD, McElwee JJ, Kollman JM
PNAS (2021) 118 [ DOI: doi:10.1073/pnas.2107968118 Pubmed: 34583994 ]
- Magnesium ion (24 Da, Ligand)
- N-(1-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}cyclopropyl)-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide (486 Da, Ligand)
- Glutamine (146 Da, Ligand)
- Ctp synthase 2 (65 kDa, Protein from Homo sapiens)
- Ctps2 tetramer (Complex from Homo sapiens)
- Uridine 5'-triphosphate (484 Da, Ligand)
Human CTPS2 bound to inhibitor T35
Resolution: 2.7 Å
EM Method: Single-particle
Fitted PDBs: 7mii
Q-score: 0.555
Lynch EM, DiMattia MA, Albanese S, van Zundert GCP, Hansen JM, Quispe JD, Kennedy MA, Verras A, Borrelli K, Toms AV, Kaila N, Kreutter KD, McElwee JJ, Kollman JM
PNAS (2021) 118 [ DOI: doi:10.1073/pnas.2107968118 Pubmed: 34583994 ]
- Magnesium ion (24 Da, Ligand)
- Glutamine (146 Da, Ligand)
- Ctp synthase 2 (65 kDa, Protein from Homo sapiens)
- 2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-n-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide (512 Da, Ligand)
- Ctps2 tetramer (Complex from Homo sapiens)
- Uridine 5'-triphosphate (484 Da, Ligand)
Mouse CTPS1 bound to inhibitor R80
Resolution: 2.4 Å
EM Method: Single-particle
Fitted PDBs: 7mip
Q-score: 0.602
Lynch EM, DiMattia MA, Albanese S, van Zundert GCP, Hansen JM, Quispe JD, Kennedy MA, Verras A, Borrelli K, Toms AV, Kaila N, Kreutter KD, McElwee JJ, Kollman JM
PNAS (2021) 118 [ DOI: doi:10.1073/pnas.2107968118 Pubmed: 34583994 ]
- Magnesium ion (24 Da, Ligand)
- N-(1-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}cyclopropyl)-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide (486 Da, Ligand)
- Glutamine (146 Da, Ligand)
- Mctps1 tetramer (Complex from Mus musculus)
- Uridine 5'-triphosphate (484 Da, Ligand)
- Ctp synthase 1 (66 kDa, Protein from Mus musculus)
Mouse CTPS2 bound to inhibitor R80
Resolution: 2.6 Å
EM Method: Single-particle
Fitted PDBs: 7miu
Q-score: 0.58
Lynch EM, DiMattia MA, Albanese S, van Zundert GCP, Hansen JM, Quispe JD, Kennedy MA, Verras A, Borrelli K, Toms AV, Kaila N, Kreutter KD, McElwee JJ, Kollman JM
PNAS (2021) 118 [ DOI: doi:10.1073/pnas.2107968118 Pubmed: 34583994 ]
- Magnesium ion (24 Da, Ligand)
- Ctp synthase 2 (65 kDa, Protein from Mus musculus)
- N-(1-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}cyclopropyl)-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide (486 Da, Ligand)
- Glutamine (146 Da, Ligand)
- Mctps2 tetramer (Complex from Mus musculus)
- Uridine 5'-triphosphate (484 Da, Ligand)
Mouse CTPS2-I250T bound to inhibitor R80
Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 7miv
Q-score: 0.56
Lynch EM, DiMattia MA, Albanese S, van Zundert GCP, Hansen JM, Quispe JD, Kennedy MA, Verras A, Borrelli K, Toms AV, Kaila N, Kreutter KD, McElwee JJ, Kollman JM
PNAS (2021) 118 [ DOI: doi:10.1073/pnas.2107968118 Pubmed: 34583994 ]
- Magnesium ion (24 Da, Ligand)
- Mctps2-i250t tetramer (Complex from Mus musculus)
- N-(1-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}cyclopropyl)-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide (486 Da, Ligand)
- Ctp synthase 2 (65 kDa, Protein from Mus musculus)
- Glutamine (146 Da, Ligand)
- Uridine 5'-triphosphate (484 Da, Ligand)