7AY1
 
 | | Cryo-EM structure of USP1-UAF1 bound to mono-ubiquitinated FANCD2, and FANCI | | Descriptor: | DNA (61-MER), Fanconi anemia group D2 protein, Fanconi anemia group I protein, ... | | Authors: | Rennie, M.L, Arkinson, C, Walden, H. | | Deposit date: | 2020-11-10 | | Release date: | 2021-03-24 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural basis of FANCD2 deubiquitination by USP1-UAF1.
Nat.Struct.Mol.Biol., 28, 2021
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5LYC
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9FCJ
 | | USP1 bound to ML323 and ubiquitin conjugated to FANCD2 (ordered subset, focused refinement) | | Descriptor: | 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-[[4-(1,2,3-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine, Polyubiquitin-C, Ubiquitin carboxyl-terminal hydrolase 1, ... | | Authors: | Rennie, M.L, Gundogdu, M, Walden, H. | | Deposit date: | 2024-05-15 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-25 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural and Biochemical Insights into the Mechanism of Action of the Clinical USP1 Inhibitor, KSQ-4279.
J.Med.Chem., 67, 2024
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9FCI
 | | USP1 bound to KSQ-4279 and ubiquitin conjugated to FANCD2 (focused refinement) | | Descriptor: | 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, Polyubiquitin-C, Ubiquitin carboxyl-terminal hydrolase 1, ... | | Authors: | Rennie, M.L, Gundogdu, M, Walden, H. | | Deposit date: | 2024-05-15 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-25 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural and Biochemical Insights into the Mechanism of Action of the Clinical USP1 Inhibitor, KSQ-4279.
J.Med.Chem., 67, 2024
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7ZH3
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8A9J
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8A9K
 | | Cryo-EM structure of USP1-UAF1 bound to FANCI and mono-ubiquitinated FANCD2 with ML323 (consensus reconstruction) | | Descriptor: | 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-[[4-(1,2,3-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine, DNA (61-MER), Fanconi anemia group D2 protein, ... | | Authors: | Rennie, M.L, Walden, H. | | Deposit date: | 2022-06-28 | | Release date: | 2022-10-12 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Cryo-EM reveals a mechanism of USP1 inhibition through a cryptic binding site.
Sci Adv, 8, 2022
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7ZH4
 | | USP1 bound to ML323 and ubiquitin conjugated to FANCD2 (focused refinement) | | Descriptor: | 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-[[4-(1,2,3-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine, Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin-60S ribosomal protein L40, ... | | Authors: | Rennie, M.L, Walden, H. | | Deposit date: | 2022-04-05 | | Release date: | 2022-10-12 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.49 Å) | | Cite: | Cryo-EM reveals a mechanism of USP1 inhibition through a cryptic binding site.
Sci Adv, 8, 2022
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6GD8
 | | Cytochrome c in complex with Sulfonato-calix[8]arene, P31 form | | Descriptor: | Cytochrome c iso-1, HEME C, sulfonato-calix[8]arene | | Authors: | Rennie, M.L, Fox, G.C, Crowley, P.B. | | Deposit date: | 2018-04-23 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Auto-regulated Protein Assembly on a Supramolecular Scaffold.
Angew. Chem. Int. Ed. Engl., 57, 2018
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6GD9
 | | Cytochrome c in complex with Sulfonato-calix[8]arene, P43212 form | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cytochrome c iso-1, HEME C, ... | | Authors: | Rennie, M.L, Fox, G.C, Crowley, P.B. | | Deposit date: | 2018-04-23 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Auto-regulated Protein Assembly on a Supramolecular Scaffold.
Angew. Chem. Int. Ed. Engl., 57, 2018
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6GD6
 | | Cytochrome c in complex with Sulfonato-calix[8]arene, H3 form with ammonium sulfate | | Descriptor: | Cytochrome c iso-1, HEME C, SULFATE ION, ... | | Authors: | Rennie, M.L, Fox, G.C, Crowley, P.B. | | Deposit date: | 2018-04-23 | | Release date: | 2018-08-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Auto-regulated Protein Assembly on a Supramolecular Scaffold.
Angew. Chem. Int. Ed. Engl., 57, 2018
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6GDA
 | | Cytochrome c in complex with Sulfonato-calix[8]arene, P43212 form soaked with Spermine | | Descriptor: | Cytochrome c iso-1, HEME C, SPERMINE, ... | | Authors: | Rennie, M.L, Fox, G.C, Crowley, P.B. | | Deposit date: | 2018-04-23 | | Release date: | 2019-05-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Tuning Protein Frameworks via Auxiliary Supramolecular Interactions.
Acs Nano, 13, 2019
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6GD7
 | | Cytochrome c in complex with Sulfonato-calix[8]arene, H3 form with PEG | | Descriptor: | Cytochrome c iso-1, GLYCEROL, HEME C, ... | | Authors: | Rennie, M.L, Fox, G.C, Crowley, P.B. | | Deposit date: | 2018-04-23 | | Release date: | 2018-08-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Auto-regulated Protein Assembly on a Supramolecular Scaffold.
Angew. Chem. Int. Ed. Engl., 57, 2018
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4P4T
 | | GDP-bound stalkless-MxA | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Interferon-induced GTP-binding protein Mx1, SULFATE ION | | Authors: | Rennie, M.L, McKelvie, S.A, Bulloch, E.M, Kingston, R.L. | | Deposit date: | 2014-03-13 | | Release date: | 2014-10-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Transient Dimerization of Human MxA Promotes GTP Hydrolysis, Resulting in a Mechanical Power Stroke.
Structure, 22, 2014
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4P4S
 | | GMPPCP-bound stalkless-MxA | | Descriptor: | Interferon-induced GTP-binding protein Mx1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | | Authors: | Rennie, M.L, McKelvie, S.A, Bulloch, E.M, Kingston, R.L. | | Deposit date: | 2014-03-13 | | Release date: | 2014-10-22 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Transient Dimerization of Human MxA Promotes GTP Hydrolysis, Resulting in a Mechanical Power Stroke.
Structure, 22, 2014
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4P4U
 | | Nucleotide-free stalkless-MxA | | Descriptor: | Interferon-induced GTP-binding protein Mx1, SULFATE ION | | Authors: | Rennie, M.L, McKelvie, S.A, Bulloch, E.M, Kingston, R.L. | | Deposit date: | 2014-03-13 | | Release date: | 2014-11-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Transient Dimerization of Human MxA Promotes GTP Hydrolysis, Resulting in a Mechanical Power Stroke.
Structure, 22, 2014
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6Y0J
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6EGY
 | | Crystal structure of cytochrome c in complex with mono-PEGylated sulfonatocalix[4]arene | | Descriptor: | Cytochrome c iso-1, HEME C, SULFATE ION, ... | | Authors: | Mummidivarapu, V.V.S, Rennie, M.L, Crowley, P.B. | | Deposit date: | 2017-09-12 | | Release date: | 2018-10-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Noncovalent PEGylation via Sulfonatocalix[4]arene-A Crystallographic Proof.
Bioconjug.Chem., 29, 2018
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6EGZ
 | | Crystal structure of cytochrome c in complex with di-PEGylated sulfonatocalix[4]arene | | Descriptor: | Cytochrome c iso-1, HEME C, SODIUM ION, ... | | Authors: | Mummidivarapu, V.V.S, Rennie, M.L, Crowley, P.B. | | Deposit date: | 2017-09-12 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Noncovalent PEGylation via Sulfonatocalix[4]arene-A Crystallographic Proof.
Bioconjug.Chem., 29, 2018
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7AY0
 | | Crystal structure of truncated USP1-UAF1 | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 1, WD repeat-containing protein 48, ZINC ION | | Authors: | Arkinson, C, Rennie, M.L, Walden, H. | | Deposit date: | 2020-11-10 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structural basis of FANCD2 deubiquitination by USP1-UAF1.
Nat.Struct.Mol.Biol., 28, 2021
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7AY2
 | | Crystal structure of truncated USP1-UAF1 reacted with ubiquitin-prg | | Descriptor: | Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 1, WD repeat-containing protein 48, ... | | Authors: | Arkinson, C, Rennie, M.L, Walden, H. | | Deposit date: | 2020-11-10 | | Release date: | 2021-03-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis of FANCD2 deubiquitination by USP1-UAF1.
Nat.Struct.Mol.Biol., 28, 2021
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5NCV
 | | Crystal Structure of Cytochrome c in complex with p-Methylphosphonatocalix[4]arene | | Descriptor: | CHLORIDE ION, Cytochrome c iso-1, HEME C, ... | | Authors: | Alex, J.M, Rennie, M.L, Crowley, P.B. | | Deposit date: | 2017-03-06 | | Release date: | 2018-03-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Phosphonated Calixarene as a ""Molecular Glue"" for Protein Crystallization
Cryst.Growth Des., 18, 2018
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5KPF
 | | Crystal structure of cytochrome c - Phenyl-trisulfonatocalix[4]arene complex | | Descriptor: | Cytochrome c iso-1, HEME C, NITRATE ION, ... | | Authors: | Doolan, A.M, Rennie, M.L, Crowley, P.B. | | Deposit date: | 2016-07-04 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Protein Recognition by Functionalized Sulfonatocalix[4]arenes.
Chemistry, 24, 2018
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5LFT
 | | Crystal structure of cytochrome c - Bromo-trisulfonatocalix[4]arene complexes | | Descriptor: | BROMIDE ION, Bromo-trisulfonatocalix[4]arene, Cytochrome c iso-1, ... | | Authors: | Doolan, A.M, Rennie, M.L, Crowley, P.B. | | Deposit date: | 2016-07-04 | | Release date: | 2017-07-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.249 Å) | | Cite: | Protein Recognition by Functionalized Sulfonatocalix[4]arenes.
Chemistry, 24, 2018
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7ZF1
 | | Structure of ubiquitinated FANCI in complex with FANCD2 and double-stranded DNA | | Descriptor: | DNA (61-MER), Fanconi anemia group D2 protein, Fanconi anemia group I protein, ... | | Authors: | Lemonidis, K, Rennie, M.L, Arkinson, C, Streetley, J, Clarke, M, Chaugule, V.K, Walden, H. | | Deposit date: | 2022-03-31 | | Release date: | 2022-11-16 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (4.14 Å) | | Cite: | Structural and biochemical basis of interdependent FANCI-FANCD2 ubiquitination.
Embo J., 42, 2023
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