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6C16
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BU of 6c16 by Molmil
Ubiquitin variant (UbV.Fbl10.1) bound to a human Skp1-Fbl11 fragment complex.
Descriptor: Lysine-specific demethylase 2A, Polyubiquitin-B, S-phase kinase-associated protein 1
Authors:Manczyk, N, Sicheri, F.
Deposit date:2018-01-04
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:A Structure-Based Strategy for Engineering Selective Ubiquitin Variant Inhibitors of Skp1-Cul1-F-Box Ubiquitin Ligases.
Structure, 26, 2018
6BVA
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BU of 6bva by Molmil
Ubiquitin Variant (UbV.Fl10.1) bound to a human Skp1-Fbl10 fragment complex.
Descriptor: Lysine-specific demethylase 2B, Polyubiquitin-B, S-phase kinase-associated protein 1
Authors:Manczyk, N, Sicheri, F.
Deposit date:2017-12-12
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:A Structure-Based Strategy for Engineering Selective Ubiquitin Variant Inhibitors of Skp1-Cul1-F-Box Ubiquitin Ligases.
Structure, 26, 2018
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
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:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15.
Structure, 27, 2019
6BYH
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BU of 6byh by Molmil
Ubiquitin Variant (UbV.Fl11.1) bound to a human Skp1-Fbl11 fragment complex.
Descriptor: Lysine-specific demethylase 2A, Polyubiquitin-B, S-phase kinase-associated protein 1
Authors:Manczyk, N, Sicheri, F.
Deposit date:2017-12-20
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:A Structure-Based Strategy for Engineering Selective Ubiquitin Variant Inhibitors of Skp1-Cul1-F-Box Ubiquitin Ligases.
Structure, 26, 2018
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
6BXI
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BU of 6bxi by Molmil
X-ray crystal structure of NDR1 kinase domain
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase 38
Authors:Xiong, S, Sicheri, F.
Deposit date:2017-12-18
Release date:2018-08-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Auto-Inhibition of the NDR1 Kinase Domain by an Atypically Long Activation Segment.
Structure, 26, 2018
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
7T1K
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BU of 7t1k by Molmil
Crystal structure of a superbinder Fes SH2 domain (sFes1) in complex with a high affinity phosphopeptide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MALONATE ION, ...
Authors:Martyn, G.D, Singer, A.U, Veggiani, G, Kurinov, I, Sicheri, F, Sidhu, S.S.
Deposit date:2021-12-02
Release date:2022-08-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Engineered SH2 Domains for Targeted Phosphoproteomics.
Acs Chem.Biol., 17, 2022
7T1L
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BU of 7t1l by Molmil
Crystal structure of a superbinder Fes SH2 domain (sFesS) in complex with a high affinity phosphopeptide
Descriptor: CHLORIDE ION, SODIUM ION, Synthetic phosphotyrosine-containing Ezrin-derived peptide, ...
Authors:Martyn, G.D, Singer, A.U, Veggiani, G, Kurinov, I, Sicheri, F, Sidhu, S.S.
Deposit date:2021-12-02
Release date:2022-08-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Engineered SH2 Domains for Targeted Phosphoproteomics.
Acs Chem.Biol., 17, 2022
7T1U
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BU of 7t1u by Molmil
Crystal structure of a superbinder Src SH2 domain (sSrcF) in complex with a high affinity phosphopeptide
Descriptor: Proto-oncogene tyrosine-protein kinase Src, Synthetic phosphopeptide, ZINC ION
Authors:Martyn, G.D, Singer, A.U, Manczyk, N, Veggiani, G, Kurinov, I, Sicheri, F, Sidhu, S.S.
Deposit date:2021-12-02
Release date:2022-08-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Engineered SH2 Domains for Targeted Phosphoproteomics.
Acs Chem.Biol., 17, 2022
2P0F
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BU of 2p0f by Molmil
ArhGAP9 PH domain in complex with Ins(1,3,5)P3
Descriptor: PHOSPHATE ION, Rho GTPase-activating protein 9
Authors:Ceccarelli, D.F.J, Blasutig, I, Goudreault, M, Ruston, J, Pawson, T, Sicheri, F.
Deposit date:2007-02-28
Release date:2007-03-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Non-canonical Interaction of Phosphoinositides with Pleckstrin Homology Domains of Tiam1 and ArhGAP9.
J.Biol.Chem., 282, 2007
2P0H
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BU of 2p0h by Molmil
ArhGAP9 PH domain in complex with Ins(1,3,4)P3
Descriptor: (1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-INOSITOL, Rho GTPase-activating protein 9
Authors:Ceccarelli, D.F.J, Blasutig, I, Goudreault, M, Ruston, J, Pawson, T, Sicheri, F.
Deposit date:2007-02-28
Release date:2007-03-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Non-canonical Interaction of Phosphoinositides with Pleckstrin Homology Domains of Tiam1 and ArhGAP9.
J.Biol.Chem., 282, 2007
2P0D
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BU of 2p0d by Molmil
ArhGAP9 PH domain in complex with Ins(1,4,5)P3
Descriptor: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Rho GTPase-activating protein 9
Authors:Ceccarelli, D.F.J, Blasutig, I, Goudreault, M, Ruston, J, Pawson, T, Sicheri, F.
Deposit date:2007-02-28
Release date:2007-03-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.811 Å)
Cite:Non-canonical Interaction of Phosphoinositides with Pleckstrin Homology Domains of Tiam1 and ArhGAP9.
J.Biol.Chem., 282, 2007
2QNJ
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BU of 2qnj by Molmil
Kinase and Ubiquitin-associated domains of MARK3/Par-1
Descriptor: MAP/microtubule affinity-regulating kinase 3
Authors:Murphy, J.M, Ceccarelli, D.F.J, Sicheri, F, Pawson, T.
Deposit date:2007-07-18
Release date:2007-09-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Conformational instability of the MARK3 UBA domain compromises ubiquitin recognition and promotes interaction with the adjacent kinase domain
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PBC
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BU of 2pbc by Molmil
FK506-binding protein 2
Descriptor: DI(HYDROXYETHYL)ETHER, FK506-binding protein 2
Authors:Walker, J.R, Neculai, D, Davis, T, Butler-Cole, C, Sicheri, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2007-03-28
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of FK506-Binding Protein 2
To be Published
3TWQ
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BU of 3twq by Molmil
Crystal structure of ARC4 from human Tankyrase 2 (apo form)
Descriptor: GLYCEROL, SULFATE ION, Tankyrase-2
Authors:Guettler, S, Sicheri, F.
Deposit date:2011-09-22
Release date:2011-12-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Structural basis and sequence rules for substrate recognition by tankyrase explain the basis for cherubism disease.
Cell(Cambridge,Mass.), 147, 2011
3TWW
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BU of 3tww by Molmil
Crystal structure of ARC4 from human Tankyrase 2 in complex with peptide from human LNPEP (chimeric peptide)
Descriptor: SULFATE ION, Tankyrase-2, human LNPEP
Authors:Guettler, S, Sicheri, F.
Deposit date:2011-09-22
Release date:2011-12-07
Last modified:2011-12-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis and sequence rules for substrate recognition by tankyrase explain the basis for cherubism disease.
Cell(Cambridge,Mass.), 147, 2011
3TWS
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BU of 3tws by Molmil
Crystal structure of ARC4 from human Tankyrase 2 in complex with peptide from human TERF1 (chimeric peptide)
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, HEXAETHYLENE GLYCOL, ...
Authors:Guettler, S, Sicheri, F.
Deposit date:2011-09-22
Release date:2011-12-07
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis and sequence rules for substrate recognition by tankyrase explain the basis for cherubism disease.
Cell(Cambridge,Mass.), 147, 2011
3TWV
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BU of 3twv by Molmil
Crystal structure of ARC4 from human Tankyrase 2 in complex with peptide from human NUMA1 (chimeric peptide)
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, SULFATE ION, ...
Authors:Guettler, S, Sicheri, F.
Deposit date:2011-09-22
Release date:2011-12-07
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structural basis and sequence rules for substrate recognition by tankyrase explain the basis for cherubism disease.
Cell(Cambridge,Mass.), 147, 2011
3TWX
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BU of 3twx by Molmil
Crystal structure of ARC4 from human Tankyrase 2 in complex with peptide from human FNBP1 (chimeric peptide)
Descriptor: 1,2-ETHANEDIOL, HEXAETHYLENE GLYCOL, SULFATE ION, ...
Authors:Guettler, S, Sicheri, F.
Deposit date:2011-09-22
Release date:2011-12-07
Last modified:2011-12-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis and sequence rules for substrate recognition by tankyrase explain the basis for cherubism disease.
Cell(Cambridge,Mass.), 147, 2011
3TZM
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BU of 3tzm by Molmil
TGF-beta Receptor type 1 in complex with SB431542
Descriptor: 4-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide, TGF-beta receptor type-1
Authors:Ogunjimi, A.A, Zeqiraj, E, Ceccarelli, D.F, Sicheri, F.
Deposit date:2011-09-27
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis for Specificity of TGFbeta Family Receptor Small Molecule Inhibitors
Cell Signal, 24, 2012

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