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)
Ubiquitinated FANCI in complex with FANCD2 and double-stranded DNA
Lemonidis K, Rennie ML, Arkinson C, Chaugule VK, Clarke M, Streetley J, Walden H
EMBO J (2022) [ Pubmed: 36385258 DOI: 10.15252/embj.2022111898 ]
Image sets:
Reconstituted USP1, UAF1, FANCI, and mono-ubiquitinated FANCD2
Rennie ML, Arkinson C, Chaugule VK, Toth R, Walden H
Nat Struct Mol Biol (2021) 28 pp. 356-364 [ Pubmed: 33795880 DOI: 10.1038/s41594-021-00576-8 ]
Image sets:
Structure of ubiquitinated FANCI in complex with FANCD2 and double-stranded DNA
Resolution: 4.14 Å
EM Method: Single-particle
Fitted PDBs: 7zf1
Q-score: 0.31
Lemonidis K, Rennie ML, Arkinson C, Chaugule VK, Clarke M, Streetley J, Walden H
EMBO J (2023) 42 pp. e111898-e111898 [ Pubmed: 36385258 DOI: doi:10.15252/embj.2022111898 ]
- Fanconi anemia group d2 protein (166 kDa, Protein from Homo sapiens)
- Complex of ubiquitinated fanci with fancd2 and double-stranded dna. (Complex from Homo sapiens)
- Dna (61-mer) (8 kDa, DNA from synthetic construct)
- Ubiquitin-60s ribosomal protein l40 (8 kDa, Protein from Homo sapiens)
- Fanconi anemia group i protein (152 kDa, Protein from Homo sapiens)
- Dna (61-mer) (8 kDa, DNA from synthetic construct)
Reconstituted USP1, UAF1, FANCI, mono-ubiquitinated FANCD2 and the inhibitor ML323
Rennie ML, Arkinson C, Chaugule VK, Walden H
Sci Adv (2022) 8 pp. eabq6353-N/A [ Pubmed: 36170365 DOI: 10.1126/sciadv.abq6353 ]
Image sets:
FANCD2 Middle and C-terminal domains with USP1-NTE (focused refinement)
Rennie ML, Arkinson C, Chaugule VK, Walden H
Sci Adv (2022) 8 pp. eabq6353-eabq6353 [ Pubmed: 36170365 DOI: doi:10.1126/sciadv.abq6353 ]
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)