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9FCI
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BU of 9fci by Molmil
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
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., 2024
9EQM
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BU of 9eqm by Molmil
Crystal structure of pVHL:EloB:EloC in complex with MP-1-21
Descriptor: (2S,4R)-1-[(2R)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-3-[[trans-4-(morpholin-4-ylmethyl)cyclohexyl]methylsulfanyl]butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
Authors:Kroupova, A, Pierri, M, Liu, X, Ciulli, A.
Deposit date:2024-03-21
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Stereochemical inversion at a 1,4-cyclohexyl PROTAC linker fine-tunes conformation and binding affinity.
Bioorg.Med.Chem.Lett., 110, 2024
7SDE
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BU of 7sde by Molmil
Cryo-EM structure of Nse5/6 heterodimer
Descriptor: Non-structural maintenance of chromosome element 5, Ubiquitin-like protein SMT3,DNA repair protein KRE29 chimera
Authors:Yu, Y, Patel, D.J, Zhao, X.L.
Deposit date:2021-09-29
Release date:2021-10-13
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The cryo-EM structure of Nse5/6 complex with the C terminal part of Nse5
To Be Published
7SHL
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BU of 7shl by Molmil
Structure of Xenopus laevis CRL2Lrr1 (State 2)
Descriptor: CULLIN_2 domain-containing protein, Elongin-C, Lrr1, ...
Authors:Zhou, H, Brown, A.
Deposit date:2021-10-09
Release date:2021-12-08
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of CRL2Lrr1, the E3 ubiquitin ligase that promotes DNA replication termination in vertebrates.
Nucleic Acids Res., 49, 2021
7SHK
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BU of 7shk by Molmil
Structure of Xenopus laevis CRL2Lrr1 (State 1)
Descriptor: CULLIN_2 domain-containing protein, Elongin-C, Lrr1, ...
Authors:Zhou, H, Brown, A.
Deposit date:2021-10-09
Release date:2021-12-08
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of CRL2Lrr1, the E3 ubiquitin ligase that promotes DNA replication termination in vertebrates.
Nucleic Acids Res., 49, 2021
7RUC
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BU of 7ruc by Molmil
Metazoan pre-targeting GET complex with SGTA (cBUGGS)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATPase GET3, Golgi to ER traffic protein 4 homolog, ...
Authors:Keszei, A.F.A, Yip, M.C.J, Shao, S.
Deposit date:2021-08-16
Release date:2021-12-15
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural insights into metazoan pretargeting GET complexes.
Nat.Struct.Mol.Biol., 28, 2021
7RUA
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BU of 7rua by Molmil
Metazoan pre-targeting GET complex (cBUGG-out)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATPase GET3, Golgi to ER traffic protein 4 homolog, ...
Authors:Keszei, A.F.A, Yip, M.C.J, Shao, S.
Deposit date:2021-08-16
Release date:2021-12-15
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights into metazoan pretargeting GET complexes.
Nat.Struct.Mol.Biol., 28, 2021
7RU9
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BU of 7ru9 by Molmil
Metazoan pre-targeting GET complex (cBUGG-in)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATPase GET3, Golgi to ER traffic protein 4 homolog, ...
Authors:Keszei, A.F.A, Yip, M.C.J, Shao, S.
Deposit date:2021-08-16
Release date:2021-12-15
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into metazoan pretargeting GET complexes.
Nat.Struct.Mol.Biol., 28, 2021
7SBI
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BU of 7sbi by Molmil
Tandem diubiquitin-like domain from chicken 2'-5'-oligoadenylate synthetase-like protein
Descriptor: 2'-5' oligoadenylate synthase
Authors:Freitas, B.T, Pegan, S.D.
Deposit date:2021-09-24
Release date:2022-01-12
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:The Structure and Immune Regulatory Implications of the Ubiquitin-Like Tandem Domain Within an Avian 2'-5' Oligoadenylate Synthetase-Like Protein
Front Immunol, 12, 2022
7AY2
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BU of 7ay2 by Molmil
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
7AY1
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BU of 7ay1 by Molmil
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:2022-07-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of FANCD2 deubiquitination by USP1-UAF1.
Nat.Struct.Mol.Biol., 28, 2021
7S4E
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BU of 7s4e by Molmil
Crystal Structure of ligand ACBi1 in complex with bromodomain of human Smarca2 and pVHL:ElonginC:ElonginB complex
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Elongin-B, ...
Authors:MacPherson, D.J, Sherman, W.
Deposit date:2021-09-08
Release date:2022-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry.
Nat Commun, 13, 2022
4W9K
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BU of 4w9k by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-((S)-2-acetamido-3-phenylpropanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 14)
Descriptor: N-acetyl-L-phenylalanyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
Authors:Gadd, M.S, Galdeano, C, van Molle, I, Ciulli, A.
Deposit date:2014-08-27
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
4W9I
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BU of 4w9i by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 10)
Descriptor: (4R)-1-acetyl-4-hydroxy-L-prolyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
Authors:Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A.
Deposit date:2014-08-27
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
4W9C
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BU of 4w9c by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(oxazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 2)
Descriptor: (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-oxazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
Authors:Gadd, M.S, Hewitt, S, Galdeano, C, van Molle, I, Ciulli, A.
Deposit date:2014-08-27
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
4W9G
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BU of 4w9g by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(3-methyl-4-(thiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 6)
Descriptor: (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[3-methyl-4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
Authors:Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A.
Deposit date:2014-08-27
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
4W9D
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BU of 4w9d by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methyloxazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 3)
Descriptor: (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(4-methyl-1,3-oxazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
Authors:Gadd, M.S, Hewitt, S, Galdeano, C, van Molle, I, Ciulli, A.
Deposit date:2014-08-27
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
4PYU
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BU of 4pyu by Molmil
The conserved ubiquitin-like protein hub1 plays a critical role in splicing in human cells
Descriptor: U4/U6.U5 tri-snRNP-associated protein 1, Ubiquitin-like protein 5
Authors:Ammon, T, Mishra, S.K, Kowalska, K, Popowicz, G.M, Holak, T.A, Jentsch, S.
Deposit date:2014-03-28
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:The conserved ubiquitin-like protein Hub1 plays a critical role in splicing in human cells.
J Mol Cell Biol, 6, 2014
4W9H
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BU of 4w9h by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-acetamido-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 7)
Descriptor: N-acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
Authors:Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A.
Deposit date:2014-08-27
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
3DQV
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BU of 3dqv by Molmil
Structural Insights into NEDD8 Activation of Cullin-RING Ligases: Conformational Control of Conjugation
Descriptor: Cullin-5, NEDD8, Rbx1, ...
Authors:Duda, D.M, Borg, L.A, Scott, D.C, Hunt, H.W, Hammel, M, Schulman, B.A.
Deposit date:2008-07-09
Release date:2008-09-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insights into NEDD8 activation of cullin-RING ligases: conformational control of conjugation.
Cell(Cambridge,Mass.), 134, 2008
4RF1
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BU of 4rf1 by Molmil
Crystal structure of the Middle-East respiratory syndrome coronavirus papain-like protease in complex with ubiquitin (space group P63)
Descriptor: 3-AMINOPROPANE, ORF1ab protein, S-1,2-PROPANEDIOL, ...
Authors:Bailey-Elkin, B.A, Johnson, G.G, Mark, B.L.
Deposit date:2014-09-24
Release date:2014-10-22
Last modified:2015-01-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of the Middle East Respiratory Syndrome Coronavirus (MERS-CoV) Papain-like Protease Bound to Ubiquitin Facilitates Targeted Disruption of Deubiquitinating Activity to Demonstrate Its Role in Innate Immune Suppression.
J.Biol.Chem., 289, 2014
4RF0
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BU of 4rf0 by Molmil
Crystal structure of the Middle-East respiratory syndrome coronavirus papain-like protease in complex with ubiquitin (space group P6522)
Descriptor: 3-AMINOPROPANE, ORF1ab protein, SULFATE ION, ...
Authors:Bailey-Elkin, B.A, Johnson, G.G, Mark, B.L.
Deposit date:2014-09-24
Release date:2014-10-22
Last modified:2015-01-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Middle East Respiratory Syndrome Coronavirus (MERS-CoV) Papain-like Protease Bound to Ubiquitin Facilitates Targeted Disruption of Deubiquitinating Activity to Demonstrate Its Role in Innate Immune Suppression.
J.Biol.Chem., 289, 2014
3DCG
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BU of 3dcg by Molmil
Crystal Structure of the HIV Vif BC-box in Complex with Human ElonginB and ElonginC
Descriptor: Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, Virion infectivity factor
Authors:Stanley, B.J, Ehrlich, E.S, Short, L, Yu, Y, Xiao, Z, Yu, X.-F, Xiong, Y.
Deposit date:2008-06-03
Release date:2008-07-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insight into the human immunodeficiency virus Vif SOCS box and its role in human E3 ubiquitin ligase assembly
J.Virol., 82, 2008
3DBL
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BU of 3dbl by Molmil
Structural Dissection of a Gating Mechanism Preventing Misactivation of Ubiquitin by NEDD8's E1 (APPBP1-UBA3Arg190wt-NEDD8Ala72Gln)
Descriptor: NEDD8, NEDD8-activating enzyme E1 catalytic subunit, NEDD8-activating enzyme E1 regulatory subunit, ...
Authors:Souphron, J, Schulman, B.A.
Deposit date:2008-06-01
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural dissection of a gating mechanism preventing misactivation of ubiquitin by NEDD8's E1.
Biochemistry, 47, 2008
4S1Z
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BU of 4s1z by Molmil
Crystal structure of TRABID NZF1 in complex with K29 linked di-Ubiquitin
Descriptor: Ubiquitin, Ubiquitin thioesterase ZRANB1, ZINC ION
Authors:Kristariyanto, Y.A, Abdul Rehman, S.A, Campbell, D.G, Morrice, N.A, Johnson, C, Toth, R, Kulathu, Y.
Deposit date:2015-01-16
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:K29-selective ubiquitin binding domain reveals structural basis of specificity and heterotypic nature of k29 polyubiquitin.
Mol.Cell, 58, 2015

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