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8CB1
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BU of 8cb1 by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with N-PNT-DNM 15
分子名称: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-(phenanthren-9-ylmethoxy)pentyl]piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sulzenbacher, G, Roig-Zamboni, V, Overkleeft, H, Artola, M.
登録日2023-01-25
公開日2023-09-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases.
Chem Sci, 14, 2023
8CB6
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BU of 8cb6 by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in covalent complex with TAMRA tagged 1,6-Epi-cylcophellitol aziridine activity based probe
分子名称: (1S,2R,3R,4R,5R)-5-[8-[4-(4-azanylbutyl)-1,2,3-triazol-1-yl]octylamino]-4-(hydroxymethyl)cyclohexane-1,2,3-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sulzenbacher, G, Roig-Zamboni, V, Overkleeft, H, Artola, M.
登録日2023-01-25
公開日2023-09-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases.
Chem Sci, 14, 2023
7UYG
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BU of 7uyg by Molmil
Structure of the first OTU domain from Legionella pneumophila effector protein LotA
分子名称: GLYCEROL, IODIDE ION, LotA
著者Pruneda, J.N.
登録日2022-05-06
公開日2022-12-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mechanism of Lys6 poly-ubiquitin specificity by the L. pneumophila deubiquitinase LotA.
Mol.Cell, 83, 2023
7UYH
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BU of 7uyh by Molmil
Structure of the first OTU domain from Legionella pneumophila effector protein LotA bound to K6-linked diUb
分子名称: LotA, Ubiquitin
著者Warren, G.D, Pruneda, J.N.
登録日2022-05-06
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mechanism of Lys6 poly-ubiquitin specificity by the L. pneumophila deubiquitinase LotA.
Mol.Cell, 83, 2023
5CHV
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BU of 5chv by Molmil
Crystal structure of USP18-ISG15 complex
分子名称: CHLORIDE ION, SULFATE ION, Ubiquitin-like protein ISG15, ...
著者Fritz, G, Basters, A.
登録日2015-07-10
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.005 Å)
主引用文献Structural basis of the specificity of USP18 toward ISG15.
Nat. Struct. Mol. Biol., 24, 2017
6XA9
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BU of 6xa9 by Molmil
SARS CoV-2 PLpro in complex with ISG15 C-terminal domain propargylamide
分子名称: GLYCEROL, ISG15 CTD-propargylamide, Non-structural protein 3, ...
著者Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D.
登録日2020-06-04
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2.
Embo J., 39, 2020
6XAA
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BU of 6xaa by Molmil
SARS CoV-2 PLpro in complex with ubiquitin propargylamide
分子名称: Non-structural protein 3, Ubiquitin-propargylamide, ZINC ION
著者Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D.
登録日2020-06-04
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2.
Embo J., 39, 2020
5CHT
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BU of 5cht by Molmil
Crystal structure of USP18
分子名称: Ubl carboxyl-terminal hydrolase 18, ZINC ION
著者Fritz, G, Basters, A.
登録日2015-07-10
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of the specificity of USP18 toward ISG15.
Nat. Struct. Mol. Biol., 24, 2017
7NWV
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BU of 7nwv by Molmil
Structure of recombinant human beta-glucocerebrosidase in complex with BODIPY Tagged Cyclophellitol activity based probe
分子名称: (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol, 1,2-ETHANEDIOL, 1-deoxy-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rowland, R.J, Davies, G.J.
登録日2021-03-17
公開日2022-03-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases.
Chem Sci, 14, 2023
3ZNH
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BU of 3znh by Molmil
Crimean Congo Hemorrhagic Fever Virus OTU domain in complex with ubiquitin-propargyl.
分子名称: POLYUBIQUITIN-B, UBIQUITIN THIOESTERASE
著者Ekkebus, R, vanKasteren, S.I, Kulathu, Y, Scholten, A, Berlin, I, deJong, A, Goerdayal, G, Neefjes, J, Heck, A.J.R, Komander, D, Ovaa, H.
登録日2013-02-14
公開日2013-02-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献On Terminal Alkynes that Can React with Active-Site Cysteine Nucleophiles in Proteases.
J.Am.Chem.Soc., 135, 2013
8R06
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BU of 8r06 by Molmil
CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLANOLYTICUM GH116 BETA-GLUCOSIDASE WITH A COVALENTLY BOUND CYCLOPHELLITOL AZIRIDINE
分子名称: (1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, CALCIUM ION, CHLORIDE ION, ...
著者Offen, W.A, Davies, G.J, Breen, I.Z.
登録日2023-10-30
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLOLYTICUM GH116 BETA-GLUCOSIDASE WITH A COVALENTLY BOUND CYCLOPHELLITOL AZIRIDINE
JACS, 40, 2017
8SSI
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BU of 8ssi by Molmil
Structure of Burkholderia pseudomallei deubiquitinase TssM in complex with ubiquitin
分子名称: Deubiquitinase TssM, GLYCEROL, Ubiquitin, ...
著者Szczesna, M, Pruneda, J.N, Thurston, T.L.M.
登録日2023-05-08
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Burkholderia esterase TssM counters RNF213-mediated bacterial ubiquitylation
To Be Published
5JP3
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BU of 5jp3 by Molmil
Structure of Xanthomonas campestris effector protein XopD bound to ubiquitin
分子名称: Polyubiquitin-B, Xanthomonas outer protein D
著者Pruneda, J.N, Komander, D.
登録日2016-05-03
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Molecular Basis for Ubiquitin and Ubiquitin-like Specificities in Bacterial Effector Proteases.
Mol.Cell, 63, 2016
5JP1
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BU of 5jp1 by Molmil
Structure of Xanthomonas campestris effector protein XopD bound to tomato SUMO
分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, MALONATE ION, Small ubiquitin-related modifier, ...
著者Pruneda, J.N, Komander, D.
登録日2016-05-03
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Molecular Basis for Ubiquitin and Ubiquitin-like Specificities in Bacterial Effector Proteases.
Mol.Cell, 63, 2016
5HAG
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BU of 5hag by Molmil
Structure of Chlamydia trachomatis effector protein ChlaDUB1
分子名称: Deubiquitinase and deneddylase Dub1, GLYCEROL
著者Pruneda, J.N, Komander, D.
登録日2015-12-30
公開日2016-07-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Molecular Basis for Ubiquitin and Ubiquitin-like Specificities in Bacterial Effector Proteases.
Mol.Cell, 63, 2016
5HAF
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BU of 5haf by Molmil
Structure of Salmonella enterica effector protein SseL
分子名称: Deubiquitinase SseL, POTASSIUM ION
著者Pruneda, J.N, Komander, D.
登録日2015-12-30
公開日2016-07-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Molecular Basis for Ubiquitin and Ubiquitin-like Specificities in Bacterial Effector Proteases.
Mol.Cell, 63, 2016
5HAM
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BU of 5ham by Molmil
Structure of Rickettsia bellii effector protein RickCE
分子名称: RickCE
著者Pruneda, J.N, Komander, D.
登録日2015-12-30
公開日2016-07-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Molecular Basis for Ubiquitin and Ubiquitin-like Specificities in Bacterial Effector Proteases.
Mol.Cell, 63, 2016
6W9O
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BU of 6w9o by Molmil
Crystal structure of an OTU deubiquitinase from Wolbachia pipientis wMel
分子名称: ACETATE ION, OTU domain-containing protein wMelOTU
著者Schubert, A.F, Pruneda, J.N, Komander, D.
登録日2020-03-23
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Identification and characterization of diverse OTU deubiquitinases in bacteria.
Embo J., 39, 2020
6W9S
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BU of 6w9s by Molmil
Crystal structure of an OTU deubiquitinase from Escherichia albertii bound to ubiquitin
分子名称: FORMIC ACID, OTU domain-containing protein EschOTU, Ubiquitin
著者Schubert, A.F, Pruneda, J.N, Komander, D.
登録日2020-03-23
公開日2020-07-01
最終更新日2020-08-12
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification and characterization of diverse OTU deubiquitinases in bacteria.
Embo J., 39, 2020
6W9R
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BU of 6w9r by Molmil
Crystal structure of an OTU deubiquitinase from Wolbachia pipientis wMel bound to ubiquitin
分子名称: CITRATE ANION, OTU domain-containing protein wMelOTU, Ubiquitin
著者Schubert, A.F, Pruneda, J.N, Komander, D.
登録日2020-03-23
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Identification and characterization of diverse OTU deubiquitinases in bacteria.
Embo J., 39, 2020
6RPC
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BU of 6rpc by Molmil
GOLGI ALPHA-MANNOSIDASE II
分子名称: 1,2-ETHANEDIOL, Alpha-mannosidase 2, SUCCINIC ACID, ...
著者Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, Debets, M, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
登録日2019-05-14
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
6RQZ
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BU of 6rqz by Molmil
GOLGI ALPHA-MANNOSIDASE II complex with Manno-epi-cyclophellitol aziridine
分子名称: (1~{R},2~{S},3~{R},4~{R},5~{S},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ...
著者Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, Debets, M, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
登録日2019-05-16
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
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