USP1 bound to KSQ-4279 and ubiquitin conjugated to FANCD2 (focused refinement)
Resolution: 3.2 Å
EM Method: Single-particle
Fitted PDBs: 9fci
Q-score: 0.525
Rennie ML, Gundogdu M, Arkinson C, Liness S, Frame S, Walden H
J Med Chem (2024) 67 pp. 15557-15568 [ DOI: doi:10.1021/acs.jmedchem.4c01184 Pubmed: 39190802 ]
- Usp1 bound to ksq-4279 and ubiquitin conjugated to fancd2 (Complex from Homo sapiens)
- Zinc ion (65 Da, Ligand)
- Ubiquitin carboxyl-terminal hydrolase 1 (88 kDa, Protein from Homo sapiens)
- Polyubiquitin-c (8 kDa, Protein from Homo sapiens)
- 6-(4-cyclopropyl-6-methoxy-pyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine (534 Da, Ligand)
USP1 bound to ML323 and ubiquitin conjugated to FANCD2 (ordered subset, focused refinement)
Resolution: 2.7 Å
EM Method: Single-particle
Fitted PDBs: 9fcj
Q-score: 0.618
Rennie ML, Gundogdu M, Arkinson C, Liness S, Frame S, Walden H
J Med Chem (2024) 67 pp. 15557-15568 [ DOI: doi:10.1021/acs.jmedchem.4c01184 Pubmed: 39190802 ]
- Usp1 bound to ml323 and ubiquitin conjugated to fancd2 (Complex from Homo sapiens)
- Zinc ion (65 Da, Ligand)
- Water (18 Da, Ligand)
- Ubiquitin carboxyl-terminal hydrolase 1 (88 kDa, Protein from Homo sapiens)
- Polyubiquitin-c (8 kDa, Protein from Homo sapiens)
- 5-methyl-2-(2-propan-2-ylphenyl)-~{n}-[[4-(1,2,3-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine (384 Da, Ligand)
USP1 bound to ubiquitin conjugated to FANCD2 (focused refinement)
Resolution: 2.5 Å
EM Method: Single-particle
Fitted PDBs: 7zh3
Q-score: 0.662
Rennie ML, Arkinson C, Chaugule VK, Walden H
Sci Adv (2022) 8 pp. eabq6353-eabq6353 [ Pubmed: 36170365 DOI: doi:10.1126/sciadv.abq6353 ]
- Ubiquitin carboxyl-terminal hydrolase 1 (Complex from Homo sapiens)
- Zinc ion (65 Da, Ligand)
- Ubiquitin carboxyl-terminal hydrolase 1 (88 kDa, Protein from Homo sapiens)
- Ubiquitin-60s ribosomal protein l40 (Complex from Homo sapiens)
- Usp1(c90s) bound to ubiquitin conjugated to fancd2 (Complex)
- Ubiquitin-60s ribosomal protein l40 (8 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
USP1 bound to ML323 and ubiquitin conjugated to FANCD2 (focused refinement)
Resolution: 2.49 Å
EM Method: Single-particle
Fitted PDBs: 7zh4
Q-score: 0.657
Rennie ML, Arkinson C, Chaugule VK, Walden H
Sci Adv (2022) 8 pp. eabq6353-eabq6353 [ Pubmed: 36170365 DOI: doi:10.1126/sciadv.abq6353 ]
- Zinc ion (65 Da, Ligand)
- Water (18 Da, Ligand)
- Ubiquitin carboxyl-terminal hydrolase 1 (88 kDa, Protein from Homo sapiens)
- Usp1 bound to ml323 and ubiquitin conjugated to fancd2 (Complex from Homo sapiens)
- Ubiquitin-60s ribosomal protein l40 (8 kDa, Protein from Homo sapiens)
- 5-methyl-2-(2-propan-2-ylphenyl)-~{n}-[[4-(1,2,3-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine (384 Da, Ligand)
Rennie ML, Arkinson C, Chaugule VK, Walden H
Sci Adv (2022) 8 pp. eabq6353-eabq6353 [ Pubmed: 36170365 DOI: doi:10.1126/sciadv.abq6353 ]
- Usp1(c90s)-uaf1 bound to fanci and mono-ubiquitinated fancd2 with dsdna and ml323 (Complex)
- Dna (61-mer) (DNA from synthetic construct)
- Polyubiquitin-c (Protein from Homo sapiens)
- Fanconi anemia group i protein (Protein from Homo sapiens)
- Fanconi anemia group d2 protein (Protein from Homo sapiens)
- Ubiquitin carboxyl-terminal hydrolase 1 (Protein from Homo sapiens)
- Fanconi anemia group i protein, fanconi anemia group d2 protein with ubiquitin conjugated to k561, ubiquitin carboxyl-terminal hydrolase 1, wd repeat-containing protein 48 (Complex from Homo sapiens)
- Wd repeat-containing protein 48 (Protein from Homo sapiens)
Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 8a9j
Q-score: 0.553
Rennie ML, Arkinson C, Chaugule VK, Walden H
Sci Adv (2022) 8 pp. eabq6353-eabq6353 [ Pubmed: 36170365 DOI: doi:10.1126/sciadv.abq6353 ]
- Fanconi anemia group i protein (150 kDa, Protein from Homo sapiens)
- Zinc ion (65 Da, Ligand)
- Ubiquitin carboxyl-terminal hydrolase 1 (88 kDa, Protein from Homo sapiens)
- Fanconi anemia group d2 protein (164 kDa, Protein from Homo sapiens)
- Polyubiquitin-c (8 kDa, Protein from Homo sapiens)
- Dna (61-mer) (5 kDa, DNA from synthetic construct)
- Wd repeat-containing protein 48 (78 kDa, Protein from Homo sapiens)
- Usp1(c90s)-uaf1 bound to fanci and mono-ubiquitinated fancd2 with dsdna (Complex)
- Fanconi anemia group i protein, fanconi anemia group d2 protein with ubiquitin conjugated to k561, ubiquitin carboxyl-terminal hydrolase 1, wd repeat-containing protein 48 (Complex from Homo sapiens)
Cryo-EM structure of USP1-UAF1 bound to mono-ubiquitinated FANCD2, and FANCI
Resolution: 3.7 Å
EM Method: Single-particle
Fitted PDBs: 7ay1
Q-score: 0.432
Rennie ML, Arkinson C, Chaugule VK, Toth R, Walden H
Nat Struct Mol Biol (2021) 28 pp. 356-364 [ DOI: doi:10.1038/s41594-021-00576-8 Pubmed: 33795880 ]
- Fanconi anemia group i protein (150 kDa, Protein from Homo sapiens)
- Enzyme substrate complex of usp1-uaf1 and fanci-fancd2ub (Complex from Homo sapiens)
- Zinc ion (65 Da, Ligand)
- Enzyme substrate complex of usp1-uaf1 and fanci-fancd2ub-dsdna (490 kDa, Complex)
- Ubiquitin carboxyl-terminal hydrolase 1 (88 kDa, Protein from Homo sapiens)
- Fanconi anemia group d2 protein (164 kDa, Protein from Homo sapiens)
- Dna (61-mer) (5 kDa, DNA from synthetic construct)
- Wd repeat-containing protein 48 (78 kDa, Protein from Homo sapiens)
- Dna (Complex from synthetic construct)
- Ubiquitin-60s ribosomal protein l40 (8 kDa, Protein from Homo sapiens)