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4INR
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BU of 4inr by Molmil
Yeast 20S proteasome in complex with the vinyl sulfone LU102
分子名称: N3Phe-Leu-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ...
著者Geurink, P.P, van der Linden, W.A, Mirabella, A.C, Gallastegui, N, de Bruin, G, Blom, A.E.M, Voges, M.J, Mock, E.D, Florea, B.I, van der Marel, G.A, Driessen, C, van der Stelt, M, Groll, M, Overkleeft, H.S, Kisselev, A.F.
登録日2013-01-06
公開日2013-01-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites.
J.Med.Chem., 56, 2013
4INT
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BU of 4int by Molmil
Yeast 20S proteasome in complex with the vinyl sulfone LU122
分子名称: HMB-Val-Ser-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ...
著者Geurink, P.P, van der Linden, W.A, Mirabella, A.C, Gallastegui, N, de Bruin, G, Blom, A.E.M, Voges, M.J, Mock, E.D, Florea, B.I, van der Marel, G.A, Driessen, C, van der Stelt, M, Groll, M, Overkleeft, H.S, Kisselev, A.F.
登録日2013-01-06
公開日2013-01-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites.
J.Med.Chem., 56, 2013
4INU
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BU of 4inu by Molmil
Yeast 20S proteasome in complex with the vinyl sulfone LU112
分子名称: N3Phe-Phe(4-NH2CH2)-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ...
著者Geurink, P.P, van der Linden, W.A, Mirabella, A.C, Gallastegui, N, de Bruin, G, Blom, A.E.M, Voges, M.J, Mock, E.D, Florea, B.I, van der Marel, G.A, Driessen, C, van der Stelt, M, Groll, M, Overkleeft, H.S, Kisselev, A.F.
登録日2013-01-06
公開日2013-01-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites.
J.Med.Chem., 56, 2013
7PA3
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BU of 7pa3 by Molmil
PARK7 with covalent inhibitor JYQ-88
分子名称: (3~{S})-~{N}-[5-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethanoyl]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(iminomethyl)pyrrolidine-3-carboxamide, Parkinson disease protein 7
著者Kim, R.Q, Jia, Y, Sapmaz, A, Geurink, P.P.
登録日2021-07-28
公開日2022-08-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Chemical Toolkit for PARK7: Potent, Selective, and High-Throughput.
J.Med.Chem., 65, 2022
7PA2
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BU of 7pa2 by Molmil
PARK7 with inhibitor 8RK64
分子名称: (3~{S})-~{N}-[5-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethanoyl]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(iminomethyl)pyrrolidine-3-carboxamide, Parkinson disease protein 7
著者Kim, R.Q, Jia, Y, Sapmaz, A, Geurink, P.P.
登録日2021-07-28
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Chemical Toolkit for PARK7: Potent, Selective, and High-Throughput.
J.Med.Chem., 65, 2022
5LRV
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BU of 5lrv by Molmil
Structure of Cezanne/OTUD7B OTU domain bound to Lys11-linked diubiquitin
分子名称: GLYCEROL, OTU domain-containing protein 7B, PHOSPHATE ION, ...
著者Mevissen, T.E.T, Kulathu, Y, Mulder, M.P.C, Geurink, P.P, Maslen, S.L, Gersch, M, Elliott, P.R, Burke, J.E, van Tol, B.D.M, Akutsu, M, El Oualid, F, Kawasaki, M, Freund, S.M.V, Ovaa, H, Komander, D.
登録日2016-08-22
公開日2016-10-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne.
Nature, 538, 2016
4BOP
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BU of 4bop by Molmil
Structure of OTUD1 OTU domain
分子名称: OTU DOMAIN-CONTAINING PROTEIN 1, PHOSPHATE ION
著者Mevissen, T.E.T, Hospenthal, M.K, Geurink, P.P, Elliott, P.R, Akutsu, M, Arnaudo, N, Ekkebus, R, Kulathu, Y, Wauer, T, El Oualid, F, Freund, S.M.V, Ovaa, H, Komander, D.
登録日2013-05-22
公開日2013-07-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Otu Deubiquitinases Reveal Mechanisms of Linkage Specificity and Enable Ubiquitin Chain Restriction Analysis.
Cell(Cambridge,Mass.), 154, 2013
4BOZ
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BU of 4boz by Molmil
Structure of OTUD2 OTU domain in complex with K11-linked di ubiquitin
分子名称: GLYCEROL, UBIQUITIN THIOESTERASE OTU1, UBIQUITIN-C
著者Mevissen, T.E.T, Hospenthal, M.K, Geurink, P.P, Elliott, P.R, Akutsu, M, Arnaudo, N, Ekkebus, R, Kulathu, Y, Wauer, T, El Oualid, F, Freund, S.M.V, Ovaa, H, Komander, D.
登録日2013-05-22
公開日2013-07-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Otu Deubiquitinases Reveal Mechanisms of Linkage Specificity and Enable Ubiquitin Chain Restriction Analysis.
Cell(Cambridge,Mass.), 154, 2013
4BOQ
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BU of 4boq by Molmil
Structure of OTUD2 OTU domain
分子名称: GLYCEROL, UBIQUITIN THIOESTERASE OTU1
著者Mevissen, T.E.T, Hospenthal, M.K, Geurink, P.P, Elliott, P.R, Akutsu, M, Arnaudo, N, Ekkebus, R, Kulathu, Y, Wauer, T, El Oualid, F, Freund, S.M.V, Ovaa, H, Komander, D.
登録日2013-05-22
公開日2013-07-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Otu Deubiquitinases Reveal Mechanisms of Linkage Specificity and Enable Ubiquitin Chain Restriction Analysis.
Cell(Cambridge,Mass.), 154, 2013
4BOU
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BU of 4bou by Molmil
Structure of OTUD3 OTU domain
分子名称: OTU DOMAIN-CONTAINING PROTEIN 3
著者Mevissen, T.E.T, Hospenthal, M.K, Geurink, P.P, Elliott, P.R, Akutsu, M, Arnaudo, N, Ekkebus, R, Kulathu, Y, Wauer, T, El Oualid, F, Freund, S.M.V, Ovaa, H, Komander, D.
登録日2013-05-22
公開日2013-07-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Otu Deubiquitinases Reveal Mechanisms of Linkage Specificity and Enable Ubiquitin Chain Restriction Analysis.
Cell(Cambridge,Mass.), 154, 2013
4BOS
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BU of 4bos by Molmil
Structure of OTUD2 OTU domain in complex with Ubiquitin K11-linked peptide
分子名称: MAGNESIUM ION, NITRATE ION, OTUD2, ...
著者Mevissen, T.E.T, Hospenthal, M.K, Geurink, P.P, Elliott, P.R, Akutsu, M, Arnaudo, N, Ekkebus, R, Kulathu, Y, Wauer, T, El Oualid, F, Freund, S.M.V, Ovaa, H, Komander, D.
登録日2013-05-22
公開日2013-07-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Otu Deubiquitinases Reveal Mechanisms of Linkage Specificity and Enable Ubiquitin Chain Restriction Analysis.
Cell(Cambridge,Mass.), 154, 2013
5LRW
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BU of 5lrw by Molmil
Structure of Cezanne/OTUD7B OTU domain bound to ubiquitin
分子名称: GLYCEROL, OTU domain-containing protein 7B, Polyubiquitin-B
著者Mevissen, T.E.T, Kulathu, Y, Mulder, M.P.C, Geurink, P.P, Maslen, S.L, Gersch, M, Elliott, P.R, Burke, J.E, van Tol, B.D.M, Akutsu, M, El Oualid, F, Kawasaki, M, Freund, S.M.V, Ovaa, H, Komander, D.
登録日2016-08-22
公開日2016-10-19
最終更新日2017-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne.
Nature, 538, 2016
5LRX
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BU of 5lrx by Molmil
Structure of A20 OTU domain bound to ubiquitin
分子名称: Polyubiquitin-B, Tumor necrosis factor alpha-induced protein 3
著者Mevissen, T.E.T, Kulathu, Y, Mulder, M.P.C, Geurink, P.P, Maslen, S.L, Gersch, M, Elliott, P.R, Burke, J.E, van Tol, B.D.M, Akutsu, M, El Oualid, F, Kawasaki, M, Freund, S.M.V, Ovaa, H, Komander, D.
登録日2016-08-22
公開日2016-10-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne.
Nature, 538, 2016
5LRU
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BU of 5lru by Molmil
Structure of Cezanne/OTUD7B OTU domain
分子名称: OTU domain-containing protein 7B
著者Mevissen, T.E.T, Kulathu, Y, Mulder, M.P.C, Geurink, P.P, Maslen, S.L, Gersch, M, Elliott, P.R, Burke, J.E, van Tol, B.D.M, Akutsu, M, El Oualid, F, Kawasaki, M, Freund, S.M.V, Ovaa, H, Komander, D.
登録日2016-08-22
公開日2016-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne.
Nature, 538, 2016
6RRH
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BU of 6rrh by Molmil
GOLGI ALPHA-MANNOSIDASE II
分子名称: 1,2-ETHANEDIOL, Alpha-mannosidase 2, ZINC ION
著者Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
登録日2019-05-18
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.07 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
6RRJ
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GOLGI ALPHA-MANNOSIDASE II in complex with 5-(Adamantan-1yl-methoxy)-pentyl 2,5-dideoxy-2,5-imino-D-talo-hexonamide
分子名称: (2~{S},3~{R},4~{S},5~{R})-~{N}-[5-(1-adamantylmethoxy)pentyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidine-2-carboxamide, 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, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
登録日2019-05-20
公開日2020-07-08
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.95 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
6RRU
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GOLGI ALPHA-MANNOSIDASE II in complex with (5R,6R,7S,8S)-5,6,7,8-tetrahydro-5-(hydroxymethyl)-3-(3-phenylpropyl)imidazo[1,2-a]pyridine-6,7,8-triol
分子名称: (5~{R},6~{R},7~{S},8~{S})-5-(hydroxymethyl)-2-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol, Alpha-mannosidase 2, ZINC ION
著者Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
登録日2019-05-20
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 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
6RRX
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GOLGI ALPHA-MANNOSIDASE II in complex with (2S,3R)-2-(Hydroxymethyl)-3-piperidinol
分子名称: (2~{S},3~{R})-2-(hydroxymethyl)piperidin-3-ol, 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, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
登録日2019-05-20
公開日2020-07-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.84 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
6RS0
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BU of 6rs0 by Molmil
GOLGI ALPHA-MANNOSIDASE II in complex with (2S,3S,4R,5R)-1-(2-(Benzyloxy)ethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
分子名称: (2~{S},3~{S},4~{R})-2-(hydroxymethyl)-1-(2-phenylmethoxyethyl)piperidine-3,4,5-triol, 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, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
登録日2019-05-20
公開日2020-07-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 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
6RRN
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GOLGI ALPHA-MANNOSIDASE II in complex with pentyl 2,5-dideoxy-2,5-imino-D-talo-hexonamide
分子名称: (2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-~{N}-pentyl-pyrrolidine-2-carboxamide, 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, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
登録日2019-05-20
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.59 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
6RRY
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GOLGI ALPHA-MANNOSIDASE II in complex with (2S,3R)-2-(Hydroxymethyl)-1,2,3,6-tetrahydro-3-pyridinol
分子名称: (2~{S},3~{R})-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol, 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, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
登録日2019-05-20
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.86 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
6RRW
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GOLGI ALPHA-MANNOSIDASE II in complex with (2R,3R,4R,5S)-1-(5-{[4-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)benzyl]oxy}pentyl)-2-(hydroxymethyl)-3,4,5-piperidinetriol
分子名称: (2~{R},3~{R},4~{R},5~{S})-1-[5-[[4-(3,4-dihydro-2~{H}-1,5-benzodioxepin-7-yl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol, Alpha-mannosidase 2, ZINC ION
著者Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
登録日2019-05-20
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.15 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
6YVA
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PLpro-C111S with mISG15
分子名称: Replicase polyprotein 1a, Ubiquitin-like protein ISG15, ZINC ION
著者Shin, D, Dikic, I.
登録日2020-04-28
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Papain-like protease regulates SARS-CoV-2 viral spread and innate immunity.
Nature, 587, 2020
7NWV
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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
6FFA
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FMDV Leader protease bound to substrate ISG15
分子名称: GLYCEROL, Lbpro, SULFATE ION, ...
著者Swatek, K.N, Pruneda, J.N, Komander, D.
登録日2018-01-05
公開日2018-02-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Irreversible inactivation of ISG15 by a viral leader protease enables alternative infection detection strategies.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

 

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