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4PDS
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BU of 4pds by Molmil
Crystal structure of Rad53 kinase domain and SCD2 in complex with AMPPNP
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase RAD53
Authors:Ho, C.S, Wybenga-Groot, L.E, Ceccarelli, D.F, Sicheri, F.
Deposit date:2014-04-21
Release date:2014-05-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of Rad53 kinase activation by dimerization and activation segment exchange.
Cell Signal., 26, 2014
4PL4
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BU of 4pl4 by Molmil
Crystal structure of murine IRE1 in complex with OICR464 inhibitor
Descriptor: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Sanches, M, Duffy, N, Talukdar, M, Thevakumaran, N, Chiovitti, D, Al-awar, R, Patterson, J.B, Sicheri, F.
Deposit date:2014-05-16
Release date:2014-09-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors.
Nat Commun, 5, 2014
4PL5
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BU of 4pl5 by Molmil
Crystal structure of murine IRE1 in complex with OICR573 inhibitor
Descriptor: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Sanches, M, Duffy, N, Talukdar, M, Thevakumaran, N, Chiovitti, D, Al-awar, R, Patterson, J.B, Sicheri, F.
Deposit date:2014-05-16
Release date:2014-09-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors.
Nat Commun, 5, 2014
4PDP
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BU of 4pdp by Molmil
Crystal structure of Rad53 kinase domain and SCD2
Descriptor: Serine/threonine-protein kinase RAD53
Authors:Wybenga-Groot, L.E, Ho, C.S, Ceccarelli, D.F, Sicheri, F.
Deposit date:2014-04-19
Release date:2014-05-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.591 Å)
Cite:Structural basis of Rad53 kinase activation by dimerization and activation segment exchange.
Cell Signal., 26, 2014
4PL3
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BU of 4pl3 by Molmil
Crystal structure of murine IRE1 in complex with MKC9989 inhibitor
Descriptor: 7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2H-chromen-2-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sanches, M, Duffy, N, Talukdar, M, Thevakumaran, N, Chiovitti, D, Al-awar, R, Patterson, J.B, Sicheri, F.
Deposit date:2014-05-16
Release date:2014-09-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors.
Nat Commun, 5, 2014
4QLB
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BU of 4qlb by Molmil
Structural Basis for the Recruitment of Glycogen Synthase by Glycogenin
Descriptor: GLYCEROL, Probable glycogen [starch] synthase, Protein GYG-1, ...
Authors:Zeqiraj, E, Judd, A, Sicheri, F.
Deposit date:2014-06-11
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the recruitment of glycogen synthase by glycogenin.
Proc.Natl.Acad.Sci.USA, 111, 2014
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
3TWR
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BU of 3twr by Molmil
Crystal structure of ARC4 from human Tankyrase 2 in complex with peptide from human 3BP2
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, SH3 domain-binding protein 2, 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 (1.55 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
3TWT
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BU of 3twt by Molmil
Crystal structure of ARC4 from human Tankyrase 2 in complex with peptide from human MCL1 (chimeric peptide)
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, NONAETHYLENE 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 (1.85 Å)
Cite:Structural basis and sequence rules for substrate recognition by tankyrase explain the basis for cherubism disease.
Cell(Cambridge,Mass.), 147, 2011
3TWU
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BU of 3twu by Molmil
Crystal structure of ARC4 from human Tankyrase 2 in complex with peptide from human MCL1
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, Tankyrase-2
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
3V7D
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BU of 3v7d by Molmil
Crystal Structure of ScSkp1-ScCdc4-pSic1 peptide complex
Descriptor: Cell division control protein 4, Protein SIC1, Suppressor of kinetochore protein 1
Authors:Tang, X, Orlicky, S, Mittag, T, Csizmok, V, Pawson, T, Forman-Kay, J, Sicheri, F, Tyers, M.
Deposit date:2011-12-20
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.306 Å)
Cite:Composite low affinity interactions dictate recognition of the cyclin-dependent kinase inhibitor Sic1 by the SCFCdc4 ubiquitin ligase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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
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
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
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

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