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7RA0
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BU of 7ra0 by Molmil
LC3A in complex with Fragment 2-10
Descriptor: (5-ethyl-2-methyl-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A
Authors:Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M.
Deposit date:2021-06-29
Release date:2022-01-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
7R9Z
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BU of 7r9z by Molmil
LC3A in complex with Fragment 2-3
Descriptor: (5-fluoro-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A
Authors:Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M.
Deposit date:2021-06-29
Release date:2022-01-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
7R9W
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BU of 7r9w by Molmil
LC3A in complex with Fragment 1-1
Descriptor: 4-phenoxybenzoic acid, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3A
Authors:Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M.
Deposit date:2021-06-29
Release date:2022-01-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
4EUU
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BU of 4euu by Molmil
Structure of BX-795 Complexed with Human TBK1 Kinase Domain Phosphorylated on Ser172
Descriptor: GLYCEROL, IODIDE ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, ...
Authors:Ma, X, Helgason, E, Phung, Q.T, Quan, C.L, Iyer, R.S, Lee, M.W, Bowman, K.K, Starovasnik, M.A, Dueber, E.C.
Deposit date:2012-04-25
Release date:2012-05-23
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular basis of Tank-binding kinase 1 activation by transautophosphorylation.
Proc.Natl.Acad.Sci.USA, 109, 2012
4EUT
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BU of 4eut by Molmil
Structure of BX-795 Complexed with Unphosphorylated Human TBK1 Kinase-ULD Domain
Descriptor: IODIDE ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, SULFATE ION, ...
Authors:Ma, X, Helgason, E, Phung, Q.T, Quan, C.L, Iyer, R.S, Lee, M.W, Bowman, K.K, Starovasnik, M.A, Dueber, E.C.
Deposit date:2012-04-25
Release date:2012-05-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular basis of Tank-binding kinase 1 activation by transautophosphorylation.
Proc.Natl.Acad.Sci.USA, 109, 2012
2M0X
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BU of 2m0x by Molmil
Solution structure of U14Ub1, an engineered ubiquitin variant with increased affinity for USP14
Descriptor: engineered ubiquitin variant
Authors:Phillips, A.H, Fairbrother, W.J, Corn, J.E.
Deposit date:2012-11-08
Release date:2013-06-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Conformational dynamics control ubiquitin-deubiquitinase interactions and influence in vivo signaling.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HK2
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BU of 4hk2 by Molmil
U7Ub25.2540
Descriptor: SULFATE ION, Ubiquitin
Authors:Murray, J.M, Rouge, L.
Deposit date:2012-10-14
Release date:2012-11-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Potent and selective inhibitors of USP7/HAUSP activity by protein conformational stabilization
to be published
4HJK
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BU of 4hjk by Molmil
U7Ub7 Disulfide variant
Descriptor: PHOSPHATE ION, Ubiquitin
Authors:Murray, J.M, Rouge, L.
Deposit date:2012-10-12
Release date:2012-11-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.784 Å)
Cite:Potent and selective inhibitors of USP7/HAUSP activity by protein conformational stabilization
to be published
6E27
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BU of 6e27 by Molmil
The CARD9 CARD domain-swapped dimer with a zinc ion bound to one of the two zinc binding sites
Descriptor: Caspase recruitment domain-containing protein 9, ZINC ION
Authors:Holliday, M.J, Ferrao, R, Boenig, G, Deuber, E.C, Fairbrother, W.J.
Deposit date:2018-07-10
Release date:2018-09-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.811 Å)
Cite:Picomolar zinc binding modulates formation of Bcl10-nucleating assemblies of the caspase recruitment domain (CARD) of CARD9.
J. Biol. Chem., 293, 2018
6E28
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BU of 6e28 by Molmil
The CARD9 CARD domain-swapped dimer
Descriptor: Caspase recruitment domain-containing protein 9
Authors:Holliday, M.J, Ferrao, R, Boenig, G, Deuber, E.C, Fairbrother, W.J.
Deposit date:2018-07-10
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Picomolar zinc binding modulates formation of Bcl10-nucleating assemblies of the caspase recruitment domain (CARD) of CARD9.
J. Biol. Chem., 293, 2018
6E26
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BU of 6e26 by Molmil
NMR solution structure of the CARD9 CARD
Descriptor: Caspase recruitment domain-containing protein 9
Authors:Holliday, M.J, Dueber, E.C, Fairbrother, W.J.
Deposit date:2018-07-10
Release date:2018-09-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Picomolar zinc binding modulates formation of Bcl10-nucleating assemblies of the caspase recruitment domain (CARD) of CARD9.
J. Biol. Chem., 293, 2018
6E25
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BU of 6e25 by Molmil
NMR solution structure of the CARD9 CARD bound to zinc
Descriptor: Caspase recruitment domain-containing protein 9, ZINC ION
Authors:Holliday, M.J, Dueber, E.C, Fairbrother, W.J.
Deposit date:2018-07-10
Release date:2018-09-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Picomolar zinc binding modulates formation of Bcl10-nucleating assemblies of the caspase recruitment domain (CARD) of CARD9.
J. Biol. Chem., 293, 2018

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