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5HAF
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BU of 5haf by Molmil
Structure of Salmonella enterica effector protein SseL
Descriptor: Deubiquitinase SseL, POTASSIUM ION
Authors:Pruneda, J.N, Komander, D.
Deposit date:2015-12-30
Release date:2016-07-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Molecular Basis for Ubiquitin and Ubiquitin-like Specificities in Bacterial Effector Proteases.
Mol.Cell, 63, 2016
5IFR
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BU of 5ifr by Molmil
Structure of the stable UBE2D3-UbDha conjugate
Descriptor: GLYCEROL, Polyubiquitin-B, Ubiquitin-conjugating enzyme E2 D3
Authors:Pruneda, J.N, Mulder, M.P.C, Witting, K, Ovaa, H, Komander, D.
Deposit date:2016-02-26
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A cascading activity-based probe sequentially targets E1-E2-E3 ubiquitin enzymes.
Nat.Chem.Biol., 12, 2016
5HAG
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BU of 5hag by Molmil
Structure of Chlamydia trachomatis effector protein ChlaDUB1
Descriptor: Deubiquitinase and deneddylase Dub1, GLYCEROL
Authors:Pruneda, J.N, Komander, D.
Deposit date:2015-12-30
Release date:2016-07-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Molecular Basis for Ubiquitin and Ubiquitin-like Specificities in Bacterial Effector Proteases.
Mol.Cell, 63, 2016
9AZJ
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BU of 9azj by Molmil
Structure of ubiquitinated NEMO UBAN K285C-Ub G76C bound to HOIP NZF1
Descriptor: E3 ubiquitin-protein ligase RNF31, NF-kappa-B essential modulator, Ubiquitin, ...
Authors:Michel, M.A, Scutts, S, Komander, D.
Deposit date:2024-03-11
Release date:2024-07-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Structure of TAB2 NZF domain bound to K6 / Lys6-linked diubiquitin
To be published
9B0B
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BU of 9b0b by Molmil
Structure of Optineurin bound to HOIP NZF1 domain
Descriptor: E3 ubiquitin-protein ligase RNF31, Optineurin, TETRAETHYLENE GLYCOL, ...
Authors:Michel, M.A, Scutts, S, Komander, D.
Deposit date:2024-03-11
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Linkage and substrate specificity conferred by NZF ubiquitin binding domains
To Be Published
9B0Z
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BU of 9b0z by Molmil
Structure of Optineurin bound to HOIP NZF1 domain and M1-linked diubiquitin, crystal form 2
Descriptor: E3 ubiquitin-protein ligase RNF31, Optineurin, Ubiquitin, ...
Authors:Michel, M.A, Scutts, S, Komander, D.
Deposit date:2024-03-12
Release date:2024-07-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Linkage and substrate specificity conferred by NZF ubiquitin binding domains
To Be Published
9AVW
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BU of 9avw by Molmil
Structure of TAB2 NZF domain bound to K6 / Lys6-linked diubiquitin
Descriptor: SULFATE ION, TGF-beta-activated kinase 1 and MAP3K7-binding protein 2, Ubiquitin, ...
Authors:Michel, M.A, Scutts, S, Komander, D.
Deposit date:2024-03-05
Release date:2024-07-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.747 Å)
Cite:Structure of TAB2 NZF domain bound to K6 / Lys6-linked diubiquitin
To be published
9B12
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BU of 9b12 by Molmil
Structure of Optineurin bound to HOIP NZF1 domain and M1-linked diubiquitin, crystal form 1
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, ...
Authors:Michel, M.A, Scutts, S, Komander, D.
Deposit date:2024-03-12
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Linkage and substrate specificity conferred by NZF ubiquitin binding domains
To Be Published
9AVT
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BU of 9avt by Molmil
Structure of TAB2 NZF domain bound to K6 / Lys6-linked diubiquitin
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, SULFATE ION, TGF-beta-activated kinase 1 and MAP3K7-binding protein 2, ...
Authors:Michel, M.A, Scutts, S, Komander, D.
Deposit date:2024-03-04
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of TAB2 NZF domain bound to K6 / Lys6-linked diubiquitin
To be published
5HAM
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BU of 5ham by Molmil
Structure of Rickettsia bellii effector protein RickCE
Descriptor: RickCE
Authors:Pruneda, J.N, Komander, D.
Deposit date:2015-12-30
Release date:2016-07-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Molecular Basis for Ubiquitin and Ubiquitin-like Specificities in Bacterial Effector Proteases.
Mol.Cell, 63, 2016
5C9V
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BU of 5c9v by Molmil
Structure of human Parkin G319A
Descriptor: E3 ubiquitin-protein ligase parkin, GLYCEROL, SULFATE ION, ...
Authors:Wauer, T, Komander, D.
Deposit date:2015-06-29
Release date:2015-07-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Mechanism of phospho-ubiquitin-induced PARKIN activation.
Nature, 524, 2015
7TZJ
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BU of 7tzj by Molmil
SARS CoV-2 PLpro in complex with inhibitor 3k
Descriptor: DIMETHYL SULFOXIDE, N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Papain-like protease, ...
Authors:Calleja, D.J, Klemm, T, Lechtenberg, B.C, Kuchel, N.W, Lessene, G, Komander, D.
Deposit date:2022-02-15
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Insights Into Drug Repurposing, as Well as Specificity and Compound Properties of Piperidine-Based SARS-CoV-2 PLpro Inhibitors.
Front Chem, 10, 2022
7T4M
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BU of 7t4m by Molmil
Structure of dodecameric unphosphorylated Pediculus humanus (Ph) PINK1 D357A mutant
Descriptor: Serine/threonine-protein kinase PINK1, putative
Authors:Gan, Z.Y, Leis, A, Dewson, G, Glukhova, A, Komander, D.
Deposit date:2021-12-10
Release date:2022-01-12
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.48 Å)
Cite:Activation mechanism of PINK1.
Nature, 602, 2022
7T3X
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BU of 7t3x by Molmil
Structure of unphosphorylated Pediculus humanus (Ph) PINK1 D334A mutant
Descriptor: Serine/threonine-protein kinase PINK1
Authors:Gan, Z.Y, Leis, A, Dewson, G, Glukhova, A, Komander, D.
Deposit date:2021-12-09
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.53 Å)
Cite:Activation mechanism of PINK1.
Nature, 602, 2022
7T4K
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BU of 7t4k by Molmil
Structure of dimeric phosphorylated Pediculus humanus (Ph) PINK1 with kinked alpha-C helix in chain B
Descriptor: Serine/threonine-protein kinase PINK1, putative
Authors:Gan, Z.Y, Leis, A, Dewson, G, Glukhova, A, Komander, D.
Deposit date:2021-12-10
Release date:2022-01-12
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Activation mechanism of PINK1.
Nature, 602, 2022
7T4N
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BU of 7t4n by Molmil
Structure of dimeric unphosphorylated Pediculus humanus (Ph) PINK1 D357A mutant
Descriptor: Serine/threonine-protein kinase PINK1, putative
Authors:Gan, Z.Y, Leis, A, Dewson, G, Glukhova, A, Komander, D.
Deposit date:2021-12-10
Release date:2022-01-12
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.35 Å)
Cite:Activation mechanism of PINK1.
Nature, 602, 2022
7T4L
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BU of 7t4l by Molmil
Structure of dimeric phosphorylated Pediculus humanus (Ph) PINK1 with extended alpha-C helix in chain B
Descriptor: Serine/threonine-protein kinase PINK1, putative
Authors:Gan, Z.Y, Leis, A, Dewson, G, Glukhova, A, Komander, D.
Deposit date:2021-12-10
Release date:2022-01-12
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Activation mechanism of PINK1.
Nature, 602, 2022
9CYB
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BU of 9cyb by Molmil
SARS-CoV-2 PLpro in complex with inhibitor WEHI-P1
Descriptor: Papain-like protease, SUCCINIC ACID, [(3R)-1-cyclopentylpiperidin-3-yl](6-methoxynaphthalen-2-yl)methanone
Authors:Calleja, D.J, Lechtenberg, B.C, Kuchel, N.W, Devine, S.M, Bader, S.M, Doerflinger, M, Mitchell, J.P, Lessene, G, Komander, D.
Deposit date:2024-08-01
Release date:2025-04-09
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A novel PLpro inhibitor improves outcomes in a pre-clinical model of long COVID.
Nat Commun, 16, 2025
9CYD
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BU of 9cyd by Molmil
SARS-CoV-2 PLpro in complex with inhibitor WEHI-P4
Descriptor: (1S,4s)-4-{(3R)-3-[(E)-(methoxyimino)(6-methoxynaphthalen-2-yl)methyl]piperidin-1-yl}cyclohexan-1-ol, CHLORIDE ION, Papain-like protease, ...
Authors:Calleja, D.J, Lechtenberg, B.C, Kuchel, N.W, Devine, S.M, Bader, S.M, Doerflinger, M, Mitchell, J.P, Lessene, G, Komander, D.
Deposit date:2024-08-02
Release date:2025-04-09
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A novel PLpro inhibitor improves outcomes in a pre-clinical model of long COVID.
Nat Commun, 16, 2025
9CYK
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BU of 9cyk by Molmil
SARS-CoV-2 PLpro in complex with inhibitor WEHI-P24
Descriptor: ACETIC ACID, GLYCEROL, Papain-like protease, ...
Authors:Calleja, D.J, Lechtenberg, B.C, Kuchel, N.W, Devine, S.M, Bader, S.M, Doerflinger, M, Mitchell, J.P, Lessene, G, Komander, D.
Deposit date:2024-08-02
Release date:2025-04-09
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:A novel PLpro inhibitor improves outcomes in a pre-clinical model of long COVID.
Nat Commun, 16, 2025
9CYC
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BU of 9cyc by Molmil
SARS-CoV-2 PLpro in complex with inhibitor WEHI-P2
Descriptor: (E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine, ACETIC ACID, GLYCEROL, ...
Authors:Calleja, D.J, Lechtenberg, B.C, Kuchel, N.W, Devine, S.M, Bader, S.M, Doerflinger, M, Mitchel, J.P, Lessene, G, Komander, D.
Deposit date:2024-08-01
Release date:2025-04-09
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:A novel PLpro inhibitor improves outcomes in a pre-clinical model of long COVID.
Nat Commun, 16, 2025
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:2024-10-16
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
6GZT
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BU of 6gzt by Molmil
Structure of Chlamydia trachomatis effector protein ChlaDUB1 bound to Coenzyme A
Descriptor: COENZYME A, Deubiquitinase and deneddylase Dub1, GLYCEROL, ...
Authors:Pruneda, J.N, Komander, D.
Deposit date:2018-07-05
Release date:2018-11-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Chlamydia effector combining deubiquitination and acetylation activities induces Golgi fragmentation.
Nat Microbiol, 3, 2018
6GLC
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BU of 6glc by Molmil
Structure of phospho-Parkin bound to phospho-ubiquitin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, E3 ubiquitin-protein ligase parkin, GLYCEROL, ...
Authors:Gladkova, C, Maslen, S.L, Skehel, J.M, Komander, D.
Deposit date:2018-05-23
Release date:2018-06-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of parkin activation by PINK1.
Nature, 559, 2018
6GZU
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BU of 6gzu by Molmil
Structure of Chlamydia abortus effector protein ChlaDUB
Descriptor: Conserved membrane protein, GLYCEROL, ZINC ION
Authors:Pruneda, J.N, Komander, D.
Deposit date:2018-07-05
Release date:2018-11-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:A Chlamydia effector combining deubiquitination and acetylation activities induces Golgi fragmentation.
Nat Microbiol, 3, 2018

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數據於2025-07-09公開中

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