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2AZM
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BU of 2azm by Molmil
Crystal structure of the MDC1 brct repeat in complex with the histone tail of gamma-H2AX
Descriptor: GAMMA-H2AX HISTONE, Mediator of DNA damage checkpoint protein 1
Authors:Clapperton, J.A, Stucki, M, Mohammad, D, Yaffe, M.B, Jackson, S.P, Smerdon, S.J.
Deposit date:2005-09-12
Release date:2006-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:MDC1 Directly Binds Phosphorylated Histone H2AX to Regulate Cellular Responses to DNA Double-Strand Breaks
Cell(Cambridge,Mass.), 123, 2005
1QJA
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BU of 1qja by Molmil
14-3-3 ZETA/PHOSPHOPEPTIDE COMPLEX (MODE 2)
Descriptor: 14-3-3 PROTEIN ZETA, PHOSPHOPEPTIDE
Authors:Rittinger, K, Budman, J, Xu, J, Volinia, S, Cantley, L.C, Smerdon, S.J, Gamblin, S.J, Yaffe, M.B.
Deposit date:1999-06-23
Release date:1999-09-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Analysis of 14-3-3 Phosphopeptide Complexes Identifies a Dual Role for the Nuclear Export Signal of 14-3-3 in Ligand Binding
Mol.Cell, 4, 1999
4X9R
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BU of 4x9r by Molmil
PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 3B
Descriptor: Phosphopeptide macrocycle 3B, Serine/threonine-protein kinase PLK1
Authors:Grant, R.A, Qian, W.-J, Yaffe, M.B, Burke, T.R.
Deposit date:2014-12-11
Release date:2015-07-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles.
Biopolymers, 104, 2015
6AX4
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BU of 6ax4 by Molmil
Plk-1 polo-box domain in complex with histidine N(tau)-cyclized Macrocycle 5b.
Descriptor: AMYLAMINE, Serine/threonine-protein kinase PLK1, histidine N(tau)-cyclized Macrocycle 5b
Authors:Grant, R.A, Hymel, D, Yaffe, M.B, Burke, T.R.
Deposit date:2017-09-06
Release date:2018-09-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Histidine N( tau )-cyclized macrocycles as a new genre of polo-like kinase 1 polo-box domain-binding inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6QQN
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BU of 6qqn by Molmil
Tubulin-TH588 complex
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Patterson, J.C, Joughin, B.A, Prota, A.E, Muehlethaler, T, Jonas, O.H, Whitman, M.A, Varmeh, S, Chen, S, Balk, S.P, Steinmetz, M.O, Lauffenburger, D.A, Yaffe, M.B.
Deposit date:2019-02-18
Release date:2019-07-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:VISAGE Reveals a Targetable Mitotic Spindle Vulnerability in Cancer Cells.
Cell Syst, 9, 2019
1YWT
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BU of 1ywt by Molmil
Crystal structure of the human sigma isoform of 14-3-3 in complex with a mode-1 phosphopeptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, synthetic optimal phosphopeptide (mode-1)
Authors:Wilker, E.W, Grant, R.A, Artim, S.C, Yaffe, M.B.
Deposit date:2005-02-18
Release date:2005-03-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A structural basis for 14-3-3sigma functional specificity.
J.Biol.Chem., 280, 2005
6XKA
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BU of 6xka by Molmil
TPX2 residues 7-20 fused to Aurora A residues 116-389 dephosphorylated, and CoAlated on C290
Descriptor: COENZYME A, TPX2 fragment - Aurora A kinase domain fusion
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2020-06-26
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Redox priming promotes Aurora A activation during mitosis.
Sci.Signal., 13, 2020
1QJB
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BU of 1qjb by Molmil
14-3-3 ZETA/PHOSPHOPEPTIDE COMPLEX (MODE 1)
Descriptor: 14-3-3 PROTEIN ZETA/DELTA, PHOSPHOPEPTIDE
Authors:Rittinger, K, Budman, J, Xu, J, Volinia, S, Cantley, L.C, Smerdon, S.J, Gamblin, S.J, Yaffe, M.B.
Deposit date:1999-06-23
Release date:1999-09-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Analysis of 14-3-3 Phosphopeptide Complexes Identifies a Dual Role for the Nuclear Export Signal of 14-3-3 in Ligand Binding
Mol.Cell, 4, 1999
4X9V
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BU of 4x9v by Molmil
PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 3C
Descriptor: Phosphopeptide macrocycle 3C, Serine/threonine-protein kinase PLK1
Authors:Grant, R.A, Qian, W.-J, Yaffe, M.B, Burke, T.R.
Deposit date:2014-12-11
Release date:2015-07-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.429 Å)
Cite:Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles.
Biopolymers, 104, 2015
4X9W
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BU of 4x9w by Molmil
PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 4C
Descriptor: Macrocyclic phosphopeptide 4C, Serine/threonine-protein kinase PLK1
Authors:Grant, R.A, Qian, W.-J, Yaffe, M.B, Burke, T.R.
Deposit date:2014-12-11
Release date:2015-07-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles.
Biopolymers, 104, 2015
4DFW
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BU of 4dfw by Molmil
Oxime-based Post Solid-phase Peptide Diversification: Identification of High Affinity Polo-like Kinase 1 (Plk1) Polo-box Domain Binding Peptides
Descriptor: CHLORIDE ION, Peptide, Serine/threonine-protein kinase PLK1
Authors:Liu, F, Park, J.-E, Qian, W.-J, Lim, D, Gr ber, M, Berg, T, Yaffe, M.B, Lee, K.S, Burke Jr, T.R.
Deposit date:2012-01-24
Release date:2012-03-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Oxime-based Post Solid-phase Peptide Diversification: Identification of High Affinity Polo-like Kinase 1 (Plk1) Polo-box Domain Binding Peptides
Chem.Biol., 2012
2C1J
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BU of 2c1j by Molmil
Molecular basis for the recognition of phosphorylated and phosphoacetylated histone H3 by 14-3-3
Descriptor: 14-3-3 PROTEIN ZETA/DELTA, HISTONE H3 ACETYLPHOSPHOPEPTIDE
Authors:Welburn, J.P.I, Macdonald, N, Noble, M.E.M, Nguyen, A, Yaffe, M.B, Clynes, D, Moggs, J.G, Orphanides, G, Thomson, S, Edmunds, J.W, Clayton, A.L, Endicott, J.A, Mahadevan, L.C.
Deposit date:2005-09-15
Release date:2005-11-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular Basis for the Recognition of Phosphorylated and Phosphoacetylated Histone H3 by 14-3-3.
Mol.Cell, 20, 2005
2C1N
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BU of 2c1n by Molmil
Molecular basis for the recognition of phosphorylated and phosphoacetylated histone H3 by 14-3-3
Descriptor: 14-3-3 PROTEIN ZETA/DELTA, HISTONE H3 ACETYLPHOSPHOPEPTIDE
Authors:Welburn, J.P.I, Macdonald, N, Noble, M.E.M, Nguyen, A, Yaffe, M.B, Clynes, D, Moggs, J.G, Orphanides, G, Thomson, S, Edmunds, J.W, Clayton, A.L, Endicott, J.A, Mahadevan, L.C.
Deposit date:2005-09-16
Release date:2005-11-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular Basis for the Recognition of Phosphorylated and Phosphoacetylated Histone H3 by 14-3-3.
Mol.Cell, 20, 2005
6VPG
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BU of 6vpg by Molmil
TPX2 residues 7-20 fused to Aurora A residues 116-389 in complex with AMP-PNP
Descriptor: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2020-02-03
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Redox priming promotes Aurora A activation during mitosis.
Sci.Signal., 13, 2020
6VPM
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BU of 6vpm by Molmil
TPX2 residues 7-20 fused to Aurora A residues 116-389 with C290 disulfide bonded to compound 8-34, and in complex with AMP-PNP
Descriptor: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, MALONIC ACID, ...
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2020-02-03
Release date:2020-08-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Redox priming promotes Aurora A activation during mitosis.
Sci.Signal., 13, 2020
6VPI
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BU of 6vpi by Molmil
TPX2 residues 7-20 fused to Aurora A residues 116-389 C247V + D256N + C319V triple mutant disulfide homodimer in complex with AMP-PNP
Descriptor: MAGNESIUM ION, MALONIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2020-02-03
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Redox priming promotes Aurora A activation during mitosis.
Sci.Signal., 13, 2020
6VPL
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BU of 6vpl by Molmil
TPX2 residues 7-20 fused to Aurora A residues 116-389 with C290 disulfide bonded to compound 7-80, and in complex with AMP-PNP
Descriptor: GLYCEROL, MAGNESIUM ION, MALONIC ACID, ...
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2020-02-03
Release date:2020-08-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Redox priming promotes Aurora A activation during mitosis.
Sci.Signal., 13, 2020
3C5L
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BU of 3c5l by Molmil
Polo-like kinase 1 Polo box domain in complex with PPHSpT peptide
Descriptor: Peptide, Serine/threonine-protein kinase PLK1
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2008-01-31
Release date:2009-02-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural and functional analyses of minimal phosphopeptides targeting the polo-box domain of polo-like kinase 1.
Nat.Struct.Mol.Biol., 16, 2009
6VPJ
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BU of 6vpj by Molmil
TPX2 residues 7-20 fused to Aurora A residues 116-389 C247V + C319V double mutant dephosphorylated, and in complex with AMP-PNP
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, TPX2 fragment - Aurora A kinase domain fusion, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2020-02-03
Release date:2020-08-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Redox priming promotes Aurora A activation during mitosis.
Sci.Signal., 13, 2020
6VPH
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BU of 6vph by Molmil
TPX2 residues 7-20 fused to Aurora A residues 116-389 modified with cacodylate and in complex with AMP-PNP
Descriptor: CHLORIDE ION, DITHIANE DIOL, GLYCEROL, ...
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2020-02-03
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Redox priming promotes Aurora A activation during mitosis.
Sci.Signal., 13, 2020
3FVH
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BU of 3fvh by Molmil
Polo-like kinase 1 Polo box domain in complex with Ac-LHSpTA-NH2 peptide
Descriptor: Acetyl-Leu-His-Ser-phosphoThr-Ala-NH2 peptide, Serine/threonine-protein kinase PLK1
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2009-01-15
Release date:2009-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural and functional analyses of minimal phosphopeptides targeting the polo-box domain of polo-like kinase 1
Nat.Struct.Mol.Biol., 16, 2009
4O6W
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BU of 4o6w by Molmil
Peptide-Based Inhibitors of Plk1 Polo-box Domain
Descriptor: Peptide-Based inhibitor, Serine/threonine-protein kinase PLK1
Authors:Qian, W.-J, Park, J.-E, Lim, D.C, Park, S.-Y, Lee, K.-W, Yaffe, M.B, Lee, K.S, Burke, T.R.
Deposit date:2013-12-23
Release date:2014-12-03
Method:X-RAY DIFFRACTION (1.448 Å)
Cite:Mono-anionic phosphopeptides produced by unexpected histidine alkylation exhibit high plk1 polo-box domain-binding affinities and enhanced antiproliferative effects in hela cells.
Biopolymers, 102, 2014
1UMW
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BU of 1umw by Molmil
Structure of a human Plk1 Polo-box domain/phosphopeptide complex
Descriptor: PEPTIDE, SERINE/THREONINE-PROTEIN KINASE PLK
Authors:Rellos, P, Elia, A, Yaffe, M.B, Smerdon, S.J.
Deposit date:2003-08-29
Release date:2003-10-16
Last modified:2017-02-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Molecular Basis for Phosphodependent Substrate Targeting and Regulation of Plks by the Polo-Box Domain
Cell(Cambridge,Mass.), 115, 2003
1T15
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BU of 1t15 by Molmil
Crystal Structure of the Brca1 BRCT Domains in Complex with the Phosphorylated Interacting Region from Bach1 Helicase
Descriptor: BRCA1 interacting protein C-terminal helicase 1, Breast cancer type 1 susceptibility protein
Authors:Clapperton, J.A, Manke, I.A, Lowery, D.M, Ho, T, Haire, L.F, Yaffe, M.B, Smerdon, S.J.
Deposit date:2004-04-15
Release date:2004-05-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and mechanism of BRCA1 BRCT domain recognition of phosphorylated BACH1 with implications for cancer
Nat.Struct.Mol.Biol., 11, 2004
2PIE
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BU of 2pie by Molmil
Crystal structure of the FHA domain of RNF8 in complex with its optimal phosphopeptide
Descriptor: E3 ubiquitin-protein ligase RNF8, phosphopeptide
Authors:Grant, R.A, Yaffe, M.B.
Deposit date:2007-04-13
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:RNF8 Transduces the DNA-Damage Signal via Histone Ubiquitylation and Checkpoint Protein Assembly.
Cell(Cambridge,Mass.), 131, 2007

 

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