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3LJ2
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BU of 3lj2 by Molmil
IRE1 complexed with JAK Inhibitor I
Descriptor: 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Lee, K.P.K, Sicheri, F.
Deposit date:2010-01-25
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Flavonol activation defines an unanticipated ligand-binding site in the kinase-RNase domain of IRE1.
Mol.Cell, 38, 2010
4K25
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BU of 4k25 by Molmil
Crystal Structure of yeast Qri7 homodimer
Descriptor: CALCIUM ION, Probable tRNA threonylcarbamoyladenosine biosynthesis protein QRI7, mitochondrial, ...
Authors:Neculai, D, Wan, L, Mao, D.Y, Sicheri, F.
Deposit date:2013-04-08
Release date:2013-05-08
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Reconstitution and characterization of eukaryotic N6-threonylcarbamoylation of tRNA using a minimal enzyme system.
Nucleic Acids Res., 41, 2013
3LJ0
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BU of 3lj0 by Molmil
IRE1 complexed with ADP and Quercetin
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lee, K.P.K, Sicheri, F.
Deposit date:2010-01-25
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Flavonol activation defines an unanticipated ligand-binding site in the kinase-RNase domain of IRE1.
Mol.Cell, 38, 2010
3MKS
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BU of 3mks by Molmil
Crystal Structure of yeast Cdc4/Skp1 in complex with an allosteric inhibitor SCF-I2
Descriptor: 1,1'-binaphthalene-2,2'-dicarboxylic acid, Cell division control protein 4, GLYCEROL, ...
Authors:Orlicky, S, Sicheri, F, Tyers, M, Tang, X.
Deposit date:2010-04-15
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:An allosteric inhibitor of substrate recognition by the SCF(Cdc4) ubiquitin ligase.
Nat.Biotechnol., 28, 2010
3RZ3
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BU of 3rz3 by Molmil
Human Cdc34 E2 in complex with CC0651 inhibitor
Descriptor: 4,5-dideoxy-5-(3',5'-dichlorobiphenyl-4-yl)-4-[(methoxyacetyl)amino]-L-arabinonic acid, Ubiquitin-conjugating enzyme E2 R1
Authors:Ceccarelli, D.F, Webb, D.R, Sicheri, F.
Deposit date:2011-05-11
Release date:2011-07-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:An allosteric inhibitor of the human cdc34 ubiquitin conjugating enzyme
Cell(Cambridge,Mass.), 145, 2011
8T7I
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BU of 8t7i by Molmil
Structure of the S1CE variant of Fab F1 (FabS1CE-F1)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, S1CE variant of Fab F1 heavy chain, ...
Authors:Singer, A.U, Bruce, H.A, Enderle, L, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-06-20
Release date:2023-11-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8T7G
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BU of 8t7g by Molmil
Structure of the CK variant of Fab F1 (FabC-F1)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, CK variant of Fab F1 heavy chain, ...
Authors:Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-06-20
Release date:2023-11-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8TS5
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BU of 8ts5 by Molmil
Structure of the apo FabS1C_C1
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
Authors:Singer, A.U, Bruce, H.A, Blazer, L.L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-08-10
Release date:2023-11-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8TRT
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BU of 8trt by Molmil
Structure of the EphA2 CRD bound to FabS1CE_C1, monoclinic form
Descriptor: CHLORIDE ION, Ephrin type-A receptor 2, S1CE variant of Fab C1 heavy chain, ...
Authors:Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-08-10
Release date:2023-11-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8T7F
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BU of 8t7f by Molmil
Structure of the S1 variant of Fab F1
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, S1 variant of Fab F1 heavy chain, S1 variant of Fab F1 light chain, ...
Authors:Singer, A.U, Bruce, H.A, Enderle, L, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-06-20
Release date:2023-11-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8TRS
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BU of 8trs by Molmil
Structure of the EphA2 CRD bound to FabS1CE_C1, trigonal form
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-08-10
Release date:2023-11-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
1ZVD
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BU of 1zvd by Molmil
Regulation of Smurf2 Ubiquitin Ligase Activity by Anchoring the E2 to the HECT domain
Descriptor: PHOSPHATE ION, SODIUM ION, Smad ubiquitination regulatory factor 2
Authors:Ogunjimi, A.A, Briant, D.J, Pece-Barbara, N, Le Roy, C, Di Guglielmo, G.M, Kavsak, P, Rasmussen, R.K, Seet, B.T, Sicheri, F, Wrana, J.L.
Deposit date:2005-06-01
Release date:2005-08-09
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Regulation of Smurf2 Ubiquitin Ligase Activity by Anchoring the E2 to the HECT Domain.
Mol.Cell, 19, 2005
2A19
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BU of 2a19 by Molmil
PKR kinase domain- eIF2alpha- AMP-PNP complex.
Descriptor: Eukaryotic translation initiation factor 2 alpha subunit, Interferon-induced, double-stranded RNA-activated protein kinase, ...
Authors:Dar, A.C, Dever, T.E, Sicheri, F.
Deposit date:2005-06-19
Release date:2005-09-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Higher-Order Substrate Recognition of eIF2alpha by the RNA-Dependent Protein Kinase PKR.
Cell(Cambridge,Mass.), 122, 2005
2A1A
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BU of 2a1a by Molmil
PKR kinase domain-eIF2alpha Complex
Descriptor: Eukaryotic translation initiation factor 2 alpha subunit, Interferon-induced, double-stranded RNA-activated protein kinase
Authors:Dar, A.C, Dever, T.E, Sicheri, F.
Deposit date:2005-06-19
Release date:2005-09-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Higher-Order Substrate Recognition of eIF2alpha by the RNA-Dependent Protein Kinase PKR.
Cell(Cambridge,Mass.), 122, 2005
6CAD
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BU of 6cad by Molmil
Crystal structure of RAF kinase domain bound to the inhibitor 2a
Descriptor: 1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Serine/threonine-protein kinase B-raf
Authors:Maisonneuve, P, Kurinov, I, Assadieskandar, A, Yu, C, Liu, X, Chen, Y.-C, Prakash, G.K.S, Zhang, C, SIcheri, F.
Deposit date:2018-01-30
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Effects of rigidity on the selectivity of protein kinase inhibitors.
Eur J Med Chem, 146, 2018
6CRN
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BU of 6crn by Molmil
Structure of the USP15 deubiquitinase domain in complex with a high-affinity first-generation Ubv
Descriptor: Ubiquitin carboxyl-terminal hydrolase 15, Ubiquitin variant 15.2, ZINC ION
Authors:Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S.
Deposit date:2018-03-19
Release date:2019-01-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15.
Structure, 27, 2019
6CPM
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BU of 6cpm by Molmil
Structure of the USP15 deubiquitinase domain in complex with a third-generation inhibitory Ubv
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S.
Deposit date:2018-03-13
Release date:2019-01-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15.
Structure, 27, 2019
6D4P
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BU of 6d4p by Molmil
Ube2D1 in complex with ubiquitin variant Ubv.D1.1
Descriptor: Ubiquitin Variant Ubv.D1.1, Ubiquitin-conjugating enzyme E2 D1
Authors:Ceccarelli, D.F, Garg, P, Sidhu, S, Sicheri, F.
Deposit date:2018-04-18
Release date:2019-07-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structural and Functional Analysis of Ubiquitin-based Inhibitors That Target the Backsides of E2 Enzymes.
J.Mol.Biol., 432, 2020
6D68
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BU of 6d68 by Molmil
Ube2G1 in complex with ubiquitin variant Ubv.G1.1
Descriptor: Ubiquitin-conjugating enzyme E2 G1, Ubv.G1.1
Authors:Ceccarelli, D.F, Garg, P, Sidhu, S, Sicheri, F.
Deposit date:2018-04-20
Release date:2019-07-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural and Functional Analysis of Ubiquitin-based Inhibitors That Target the Backsides of E2 Enzymes.
J.Mol.Biol., 432, 2020
6DGF
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BU of 6dgf by Molmil
Ubiquitin Variant bound to USP2
Descriptor: Polyubiquitin-B, SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 2, ...
Authors:Manczyk, N, Sicheri, F.
Deposit date:2018-05-17
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Yeast Two-Hybrid Analysis for Ubiquitin Variant Inhibitors of Human Deubiquitinases.
J. Mol. Biol., 431, 2019
6D6I
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BU of 6d6i by Molmil
Ube2V1 in complex with ubiquitin variant Ubv.V1.1 and Ube2N/Ubc13
Descriptor: Ubiquitin-conjugating enzyme E2 N, Ubiquitin-conjugating enzyme E2 variant 1, Ubv.V1.1
Authors:Ceccarelli, D.F, Garg, P, Keszei, A, Sidhu, S, Sicheri, F.
Deposit date:2018-04-21
Release date:2019-07-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:Structural and Functional Analysis of Ubiquitin-based Inhibitors That Target the Backsides of E2 Enzymes.
J.Mol.Biol., 432, 2020
6DRM
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BU of 6drm by Molmil
OTU domain of Fam105A
Descriptor: Inactive ubiquitin thioesterase FAM105A
Authors:Ceccarelli, D.F, Sicheri, F, Cordes, S.
Deposit date:2018-06-12
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:FAM105A/OTULINL Is a Pseudodeubiquitinase of the OTU-Class that Localizes to the ER Membrane.
Structure, 27, 2019
6DJ9
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BU of 6dj9 by Molmil
Structure of the USP15 DUSP domain in complex with a high-affinity Ubiquitin Variant (UbV)
Descriptor: Ubiquitin Variant UbV 15.D, Ubiquitin carboxyl-terminal hydrolase 15
Authors:Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S.
Deposit date:2018-05-24
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15.
Structure, 27, 2019
5TWH
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BU of 5twh by Molmil
human MOB1A bound to MST1 phosphorylated T367 peptide
Descriptor: MOB kinase activator 1A, T367 peptide, ZINC ION
Authors:Xiong, S, Sicheri, F.
Deposit date:2016-11-13
Release date:2017-04-12
Last modified:2017-06-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:MOB1 Mediated Phospho-recognition in the Core Mammalian Hippo Pathway.
Mol. Cell Proteomics, 16, 2017
5TWF
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BU of 5twf by Molmil
Regulation of protein interactions by MOB1 phosphorylation
Descriptor: MOB kinase activator 1A, ZINC ION
Authors:Xiong, S, Sicheri, F.
Deposit date:2016-11-13
Release date:2017-04-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.136 Å)
Cite:Regulation of Protein Interactions by Mps One Binder (MOB1) Phosphorylation.
Mol. Cell Proteomics, 16, 2017

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