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3IHP
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BU of 3ihp by Molmil
Covalent Ubiquitin-Usp5 Complex
分子名称: CHLORIDE ION, ETHANAMINE, Ubiquitin, ...
著者Walker, J.R, Avvakumov, G.V, Xue, S, Butler-Cole, C, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2009-07-30
公開日2009-12-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Covalent Ubiquitin-Usp5 Complex
To be Published
3IFW
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BU of 3ifw by Molmil
Crystal structure of the S18Y variant of ubiquitin carboxy terminal hydrolase L1 bound to ubiquitin vinylmethylester.
分子名称: METHYL 4-AMINOBUTANOATE, Ubiquitin, Ubiquitin carboxyl-terminal hydrolase isozyme L1
著者Das, C, Boudreaux, D, Maiti, T.
登録日2009-07-26
公開日2010-06-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ubiquitin vinyl methyl ester binding orients the misaligned active site of the ubiquitin hydrolase UCHL1 into productive conformation.
Proc.Natl.Acad.Sci.USA, 107, 2010
7YUI
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BU of 7yui by Molmil
Crystal structure of HOIL-1L(195-423) in complex with the linear tetra-ubiquitin
分子名称: Polyubiquitin-C, RanBP-type and C3HC4-type zinc finger-containing protein 1, ZINC ION
著者Xiao, L, Pan, L.
登録日2022-08-17
公開日2023-08-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.599 Å)
主引用文献Mechanistic insights into the enzymatic activity of E3 ligase HOIL-1L and its regulation by the linear ubiquitin chain binding.
Sci Adv, 9, 2023
7ZNT
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BU of 7znt by Molmil
CRYSTAL STRUCTURE OF AT7 IN COMPLEX WITH THE SECOND BROMODOMAIN OF HUMAN BRD4 AND PVHL:ELONGINC:ELONGINB
分子名称: (2~{S},4~{R})-1-[(2~{R})-3-[6-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]hexylsulfanyl]-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Elongin-B, ...
著者Hughes, S.J, Casement, R, Ciulli, A.
登録日2022-04-22
公開日2022-09-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Functional E3 ligase hotspots and resistance mechanisms to small-molecule degraders.
Nat.Chem.Biol., 19, 2023
7ZH3
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BU of 7zh3 by Molmil
USP1 bound to ubiquitin conjugated to FANCD2 (focused refinement)
分子名称: Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin-60S ribosomal protein L40, ZINC ION
著者Rennie, M.L, Walden, H.
登録日2022-04-05
公開日2022-10-12
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Cryo-EM reveals a mechanism of USP1 inhibition through a cryptic binding site.
Sci Adv, 8, 2022
7ZF1
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BU of 7zf1 by Molmil
Structure of ubiquitinated FANCI in complex with FANCD2 and double-stranded DNA
分子名称: DNA (61-MER), Fanconi anemia group D2 protein, Fanconi anemia group I protein, ...
著者Lemonidis, K, Rennie, M.L, Arkinson, C, Streetley, J, Clarke, M, Chaugule, V.K, Walden, H.
登録日2022-03-31
公開日2022-11-16
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (4.14 Å)
主引用文献Structural and biochemical basis of interdependent FANCI-FANCD2 ubiquitination.
Embo J., 42, 2023
7Z6L
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BU of 7z6l by Molmil
Crystal structure of PROTAC 5 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB
分子名称: (2~{S},4~{R})-~{N}-[[2-[3-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Roy, M.J, Bader, G, Farnaby, W, Ciulli, A.
登録日2022-03-12
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo.
Nat Commun, 13, 2022
7Z77
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BU of 7z77 by Molmil
Crystal structure of compound 6 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB
分子名称: (2~{S},4~{R})-~{N}-[(1~{S})-4-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Bader, G, Boettcher, J, Wolkerstorfer, B.
登録日2022-03-15
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo.
Nat Commun, 13, 2022
7Z76
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BU of 7z76 by Molmil
Crystal structure of compound 10 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB
分子名称: (2~{S},4~{R})-~{N}-[(1~{R})-2-[(2~{R})-1-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propan-2-yl]oxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{S})-2-[[1-(dimethylamino)cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Bader, G, Boettcher, J, Wolkerstorfer, B.
登録日2022-03-15
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo.
Nat Commun, 13, 2022
7ZWL
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BU of 7zwl by Molmil
Crystal structure of human STING in complex with 3',3'-c-di-(2'F,2'dAMP)
分子名称: 9-[(1~{R},6~{R},8~{R},9~{S},10~{R},15~{R},17~{R},18~{S})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,11,13-tetraoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine, Stimulator of interferon protein, Ubiquitin-like protein SMT3
著者Klima, M, Smola, M, Boura, E.
登録日2022-05-19
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of human STING in complex with 3',3'-c-di-(2'F,2'dAMP)
To Be Published
7ZH4
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BU of 7zh4 by Molmil
USP1 bound to ML323 and ubiquitin conjugated to FANCD2 (focused refinement)
分子名称: 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, ...
著者Rennie, M.L, Walden, H.
登録日2022-04-05
公開日2022-10-12
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.49 Å)
主引用文献Cryo-EM reveals a mechanism of USP1 inhibition through a cryptic binding site.
Sci Adv, 8, 2022
8A9J
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BU of 8a9j by Molmil
Cryo-EM structure of USP1-UAF1 bound to FANCI and mono-ubiquitinated FANCD2 without ML323 (consensus reconstruction)
分子名称: DNA (61-MER), Fanconi anemia group D2 protein, Fanconi anemia group I protein, ...
著者Rennie, M.L, Walden, H.
登録日2022-06-28
公開日2022-10-12
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-EM reveals a mechanism of USP1 inhibition through a cryptic binding site.
Sci Adv, 8, 2022
8A9K
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BU of 8a9k by Molmil
Cryo-EM structure of USP1-UAF1 bound to FANCI and mono-ubiquitinated FANCD2 with ML323 (consensus reconstruction)
分子名称: 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, ...
著者Rennie, M.L, Walden, H.
登録日2022-06-28
公開日2022-10-12
最終更新日2023-03-01
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Cryo-EM reveals a mechanism of USP1 inhibition through a cryptic binding site.
Sci Adv, 8, 2022
3JSV
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BU of 3jsv by Molmil
Crystal structure of mouse NEMO CoZi in complex with Lys63-linked di-ubiquitin
分子名称: NF-kappa-B essential modulator, Ubiquitin
著者Yoshikawa, A, Sato, Y, Mimura, H, Yamashita, M, Yamagata, A, Fukai, S.
登録日2009-09-11
公開日2009-10-27
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the NEMO ubiquitin-binding domain in complex with Lys 63-linked di-ubiquitin
Febs Lett., 583, 2009
3KVF
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BU of 3kvf by Molmil
Crystal structure of the I93M mutant of ubiquitin carboxy terminal hydrolase L1 bound to ubiquitin vinylmethylester
分子名称: METHYL 4-AMINOBUTANOATE, Ubiquitin, Ubiquitin carboxyl-terminal hydrolase isozyme L1
著者Davies, C.W, Maiti, T.K, Das, C.
登録日2009-11-30
公開日2010-06-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Ubiquitin vinyl methyl ester binding orients the misaligned active site of the ubiquitin hydrolase UCHL1 into productive conformation.
Proc.Natl.Acad.Sci.USA, 107, 2010
3KW5
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BU of 3kw5 by Molmil
Crystal structure of ubiquitin carboxy terminal hydrolase L1 bound to ubiquitin vinylmethylester
分子名称: METHYL 4-AMINOBUTANOATE, Ubiquitin, Ubiquitin carboxyl-terminal hydrolase isozyme L1
著者Maiti, T.K, Boudreaux, D.A, Das, C.
登録日2009-11-30
公開日2010-06-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Ubiquitin vinyl methyl ester binding orients the misaligned active site of the ubiquitin hydrolase UCHL1 into productive conformation.
Proc.Natl.Acad.Sci.USA, 107, 2010
7TV4
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BU of 7tv4 by Molmil
Crystal structure of NEMO CoZi in complex with HOIP NZF1 and linear diubiquitin
分子名称: E3 ubiquitin-protein ligase RNF31, NF-kappa-B essential modulator, Polyubiquitin-C, ...
著者Rahighi, S, Iyer, M, Oveisi, H.
登録日2022-02-03
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Structural basis for the simultaneous recognition of NEMO and acceptor ubiquitin by the HOIP NZF1 domain.
Sci Rep, 12, 2022
7US1
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BU of 7us1 by Molmil
Structure of parkin (R0RB) bound to two phospho-ubiquitin molecules
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase parkin, ...
著者Fakih, R, Sauve, V, Gehring, K.
登録日2022-04-22
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.484 Å)
主引用文献Structure of the second phosphoubiquitin-binding site in parkin.
J.Biol.Chem., 298, 2022
7UV5
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BU of 7uv5 by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2, C111S/D286N mutant, in complex with a Lys48-linked di-ubiquitin
分子名称: 1,2-ETHANEDIOL, Papain-like protease nsp3, Ubiquitin, ...
著者Osipiuk, J, Tesar, C, Endres, M, Lanham, B.T, Wydorski, P, Fushman, D, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2022-04-29
公開日2022-05-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin.
Nat Commun, 14, 2023
7W3U
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BU of 7w3u by Molmil
USP34 catalytic domain in complex with UbPA
分子名称: Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 34, ZINC ION, ...
著者Xu, G.L, Ming, Z.H.
登録日2021-11-26
公開日2022-06-01
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献Structural Insights into the Catalytic Mechanism and Ubiquitin Recognition of USP34.
J.Mol.Biol., 434, 2022
7WFC
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BU of 7wfc by Molmil
X-ray structure of HKU1-PLP2(Cys109Ser) catalytic mutant in complex with free ubiquitin
分子名称: 1,2-ETHANEDIOL, 60S ribosomal protein L40, Papain-like protease, ...
著者Xiong, Y.X, Fu, Z.Y, Huang, H.
登録日2021-12-26
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The substrate selectivity of papain-like proteases from human-infecting coronaviruses correlates with innate immune suppression.
Sci.Signal., 16, 2023
6EI1
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BU of 6ei1 by Molmil
Crystal structure of the covalent complex between deubiquitinase ZUFSP (ZUP1) and Ubiquitin-PA
分子名称: GLYCEROL, MALONATE ION, Polyubiquitin-B, ...
著者Pichlo, C, Baumann, U, Hofmann, K, Hermanns, T.
登録日2017-09-16
公開日2018-03-07
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.732 Å)
主引用文献A family of unconventional deubiquitinases with modular chain specificity determinants.
Nat Commun, 9, 2018
5JQS
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BU of 5jqs by Molmil
Crystal structure of deubiquitinase MINDY-1 in complex with Ubiquitin
分子名称: 1,4-DIETHYLENE DIOXIDE, CHLORIDE ION, Protein FAM63A, ...
著者Abdul Rehman, S.A, Kulathu, Y.
登録日2016-05-05
公開日2016-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献MINDY-1 Is a Member of an Evolutionarily Conserved and Structurally Distinct New Family of Deubiquitinating Enzymes.
Mol.Cell, 63, 2016
8VLB
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BU of 8vlb by Molmil
Crystal structure of EloBC-VHL-CDO1 complex bound to compound 4 molecular glue
分子名称: CITRIC ACID, Cysteine dioxygenase type 1, Elongin-B, ...
著者Shu, W, Ma, X, Tutter, A, Buckley, D, Golosov, A, Michaud, G.
登録日2024-01-11
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A small molecule VHL molecular glue degrader for cysteine dioxygenase 1
To Be Published
8VL9
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BU of 8vl9 by Molmil
Crystal structure of EloBC-VHL-CDO1 complex bound to compound 8 molecular glue
分子名称: CITRIC ACID, Cysteine dioxygenase type 1, Elongin-B, ...
著者Shu, W, Ma, X, Tutter, A, Buckley, D, Golosov, A, Michaud, G.
登録日2024-01-11
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A small molecule VHL molecular glue degrader for cysteine dioxygenase 1
To Be Published

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件を2024-10-09に公開中

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