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4INR
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BU of 4inr by Molmil
Yeast 20S proteasome in complex with the vinyl sulfone LU102
Descriptor: N3Phe-Leu-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ...
Authors: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.
Deposit date:2013-01-06
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: HMB-Val-Ser-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ...
Authors: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.
Deposit date:2013-01-06
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: N3Phe-Phe(4-NH2CH2)-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ...
Authors: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.
Deposit date:2013-01-06
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
Descriptor: (3~{S})-~{N}-[5-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethanoyl]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(iminomethyl)pyrrolidine-3-carboxamide, Parkinson disease protein 7
Authors:Kim, R.Q, Jia, Y, Sapmaz, A, Geurink, P.P.
Deposit date:2021-07-28
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Chemical Toolkit for PARK7: Potent, Selective, and High-Throughput.
J.Med.Chem., 65, 2022
7PA2
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BU of 7pa2 by Molmil
PARK7 with inhibitor 8RK64
Descriptor: (3~{S})-~{N}-[5-[2-[(azanylidene-$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
Authors:Kim, R.Q, Jia, Y, Sapmaz, A, Geurink, P.P.
Deposit date:2021-07-28
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Chemical Toolkit for PARK7: Potent, Selective, and High-Throughput.
J.Med.Chem., 65, 2022
4BOS
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BU of 4bos by Molmil
Structure of OTUD2 OTU domain in complex with Ubiquitin K11-linked peptide
Descriptor: MAGNESIUM ION, NITRATE ION, OTUD2, ...
Authors: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.
Deposit date:2013-05-22
Release date:2013-07-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Otu Deubiquitinases Reveal Mechanisms of Linkage Specificity and Enable Ubiquitin Chain Restriction Analysis.
Cell(Cambridge,Mass.), 154, 2013
4BOP
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BU of 4bop by Molmil
Structure of OTUD1 OTU domain
Descriptor: OTU DOMAIN-CONTAINING PROTEIN 1, PHOSPHATE ION
Authors: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.
Deposit date:2013-05-22
Release date:2013-07-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: OTU DOMAIN-CONTAINING PROTEIN 3
Authors: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.
Deposit date:2013-05-22
Release date:2013-07-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: GLYCEROL, UBIQUITIN THIOESTERASE OTU1
Authors: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.
Deposit date:2013-05-22
Release date:2013-07-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite: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
Descriptor: GLYCEROL, UBIQUITIN THIOESTERASE OTU1, UBIQUITIN-C
Authors: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.
Deposit date:2013-05-22
Release date:2013-07-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Otu Deubiquitinases Reveal Mechanisms of Linkage Specificity and Enable Ubiquitin Chain Restriction Analysis.
Cell(Cambridge,Mass.), 154, 2013
5LRV
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BU of 5lrv by Molmil
Structure of Cezanne/OTUD7B OTU domain bound to Lys11-linked diubiquitin
Descriptor: GLYCEROL, OTU domain-containing protein 7B, PHOSPHATE ION, ...
Authors: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.
Deposit date:2016-08-22
Release date:2016-10-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne.
Nature, 538, 2016
5LRW
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BU of 5lrw by Molmil
Structure of Cezanne/OTUD7B OTU domain bound to ubiquitin
Descriptor: GLYCEROL, OTU domain-containing protein 7B, Polyubiquitin-B
Authors: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.
Deposit date:2016-08-22
Release date:2016-10-19
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Polyubiquitin-B, Tumor necrosis factor alpha-induced protein 3
Authors: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.
Deposit date:2016-08-22
Release date:2016-10-19
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite: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
Descriptor: OTU domain-containing protein 7B
Authors: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.
Deposit date:2016-08-22
Release date:2016-10-19
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Alpha-mannosidase 2, ZINC ION
Authors: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.
Deposit date:2019-05-18
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.07 Å)
Cite: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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BU of 6rrw by Molmil
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
Descriptor: (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
Authors: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.
Deposit date:2019-05-20
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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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BU of 6rrn by Molmil
GOLGI ALPHA-MANNOSIDASE II in complex with pentyl 2,5-dideoxy-2,5-imino-D-talo-hexonamide
Descriptor: (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, ...
Authors: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.
Deposit date:2019-05-20
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.59 Å)
Cite: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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BU of 6rry by Molmil
GOLGI ALPHA-MANNOSIDASE II in complex with (2S,3R)-2-(Hydroxymethyl)-1,2,3,6-tetrahydro-3-pyridinol
Descriptor: (2~{S},3~{R})-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ...
Authors: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.
Deposit date:2019-05-20
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite: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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BU of 6rrj by Molmil
GOLGI ALPHA-MANNOSIDASE II in complex with 5-(Adamantan-1yl-methoxy)-pentyl 2,5-dideoxy-2,5-imino-D-talo-hexonamide
Descriptor: (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, ...
Authors: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.
Deposit date:2019-05-20
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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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BU of 6rru by Molmil
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
Descriptor: (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
Authors: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.
Deposit date:2019-05-20
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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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BU of 6rrx by Molmil
GOLGI ALPHA-MANNOSIDASE II in complex with (2S,3R)-2-(Hydroxymethyl)-3-piperidinol
Descriptor: (2~{S},3~{R})-2-(hydroxymethyl)piperidin-3-ol, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ...
Authors: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.
Deposit date:2019-05-20
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite: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
Descriptor: (2~{S},3~{S},4~{R})-2-(hydroxymethyl)-1-(2-phenylmethoxyethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ...
Authors: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.
Deposit date:2019-05-20
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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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BU of 6yva by Molmil
PLpro-C111S with mISG15
Descriptor: Replicase polyprotein 1a, Ubiquitin-like protein ISG15, ZINC ION
Authors:Shin, D, Dikic, I.
Deposit date:2020-04-28
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Papain-like protease regulates SARS-CoV-2 viral spread and innate immunity.
Nature, 587, 2020
6FFA
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BU of 6ffa by Molmil
FMDV Leader protease bound to substrate ISG15
Descriptor: GLYCEROL, Lbpro, SULFATE ION, ...
Authors:Swatek, K.N, Pruneda, J.N, Komander, D.
Deposit date:2018-01-05
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Irreversible inactivation of ISG15 by a viral leader protease enables alternative infection detection strategies.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8CMS
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BU of 8cms by Molmil
OTUB2 in covalent complex with LN5P45
Descriptor: (1~{S},2~{S})-~{N}'-ethanoyl-2-(3-methylphenyl)cyclopropane-1-carbohydrazide, Ubiquitin thioesterase OTUB2
Authors:Gan, J, de Vries, J.
Deposit date:2023-02-21
Release date:2023-11-15
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Cellular Validation of a Chemically Improved Inhibitor Identifies Monoubiquitination on OTUB2.
Acs Chem.Biol., 18, 2023

 

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