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2B7A
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BU of 2b7a by Molmil
The structural basis of Janus Kinase 2 inhibition by a potent and specific pan-Janus kinase inhibitor
Descriptor: 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Tyrosine-protein kinase JAK2
Authors:Lucet, I.S, Fantino, E, Styles, M, Bamert, R, Patel, O, Broughton, S.E, Walter, M, Burns, C.J, Treutlein, H, Wilks, A.F, Rossjohn, J.
Deposit date:2005-10-04
Release date:2006-01-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structural basis of Janus kinase 2 inhibition by a potent and specific pan-Janus kinase inhibitor.
Blood, 107, 2006
2OGV
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BU of 2ogv by Molmil
Crystal Structure of the Autoinhibited Human c-Fms Kinase Domain
Descriptor: Macrophage colony-stimulating factor 1 receptor precursor
Authors:Walter, M, Lucet, I.S, Patel, O, Broughton, S.E, Bamert, R, Williams, N.K, Fantino, E, Wilks, A.F, Rossjohn, J.
Deposit date:2007-01-09
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The 2.7 A crystal structure of the autoinhibited human c-Fms kinase domain.
J.Mol.Biol., 367, 2007
4QRP
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BU of 4qrp by Molmil
Crystal Structure of HLA B*0801 in complex with HSKKKCDEL and DD31 TCR
Descriptor: Beta-2-microglobulin, DD31 TCR alpha chain, DD31 TCR beta chain, ...
Authors:Gras, S, Berry, R, Lucet, I.S, Rossjohn, J.
Deposit date:2014-07-02
Release date:2014-11-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:An Extensive Antigenic Footprint Underpins Immunodominant TCR Adaptability against a Hypervariable Viral Determinant.
J.Immunol., 193, 2014
4QRQ
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BU of 4qrq by Molmil
Crystal Structure of HLA B*0801 in complex with HSKKKCDEL
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-8 alpha chain, ...
Authors:Gras, S, Berry, R, Lucet, I.S, Rossjohn, J.
Deposit date:2014-07-02
Release date:2014-11-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:An Extensive Antigenic Footprint Underpins Immunodominant TCR Adaptability against a Hypervariable Viral Determinant.
J.Immunol., 193, 2014
8DGM
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BU of 8dgm by Molmil
14-3-3 epsilon bound to phosphorylated PEAK1 (pT1165) peptide
Descriptor: 1,2-ETHANEDIOL, 14-3-3 protein epsilon, Inactive tyrosine-protein kinase PEAK1
Authors:Roy, M.J, Hardy, J.M, Lucet, I.S.
Deposit date:2022-06-24
Release date:2023-06-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
8DGP
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BU of 8dgp by Molmil
14-3-3 epsilon bound to phosphorylated PEAK3 (pS69) peptide
Descriptor: 1,2-ETHANEDIOL, 14-3-3 protein epsilon, Phosphorylated PEAK3 (pS69) peptide, ...
Authors:Roy, M.J, Hardy, J.M, Lucet, I.S.
Deposit date:2022-06-24
Release date:2023-06-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
8DGN
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BU of 8dgn by Molmil
14-3-3 epsilon bound to phosphorylated PEAK2 (pS826) peptide
Descriptor: 14-3-3 protein epsilon, Phosphorylated PEAK2 (pS826) peptide
Authors:Roy, M.J, Hardy, J.M, Lucet, I.S.
Deposit date:2022-06-24
Release date:2023-06-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
8DGO
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BU of 8dgo by Molmil
Growth Factor Receptor-Bound Protein 2 (Grb2) bound to phosphorylated PEAK3 (pY24) peptide
Descriptor: Growth factor receptor bound protein 2, Phosphorylated PEAK3 (pY24) peptide
Authors:Roy, M.J, Hardy, J.M, Lucet, I.S.
Deposit date:2022-06-24
Release date:2023-06-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
6C7Y
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BU of 6c7y by Molmil
Crystal structure of inhibitory protein SOCS1 in complex with JAK1 kinase domain
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Liau, N.P.D, Laktyushin, A, Lucet, I.S, Murphy, J.M, Yao, S, Callaghan, K, Nicola, N.A, Kershaw, N.J, Babon, J.J.
Deposit date:2018-01-23
Release date:2018-05-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:The molecular basis of JAK/STAT inhibition by SOCS1.
Nat Commun, 9, 2018
3FUP
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BU of 3fup by Molmil
Crystal structures of JAK1 and JAK2 inhibitor complexes
Descriptor: 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Tyrosine-protein kinase JAK2
Authors:Williams, N.K, Bamert, R.S, Patel, O, Fantino, E, Rossjohn, J, Lucet, I.S.
Deposit date:2009-01-14
Release date:2009-02-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Dissecting specificity in the Janus kinases: the structures of JAK-specific inhibitors complexed to the JAK1 and JAK2 protein tyrosine kinase domains.
J.Mol.Biol., 387, 2009
7N3V
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BU of 7n3v by Molmil
Crystal structure of Mycobacterium smegmatis LmcA
Descriptor: GLYCEROL, LmcA, SULFATE ION
Authors:Patel, O, Lucet, I, Panjikar, S.
Deposit date:2021-06-02
Release date:2022-04-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structure of the putative cell-wall lipoglycan biosynthesis protein LmcA from Mycobacterium smegmatis.
Acta Crystallogr D Struct Biol, 78, 2022
7SHW
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BU of 7shw by Molmil
Crystal structure of Mycobacterium smegmatis LmcA with xenon
Descriptor: GLYCEROL, LmcA, XENON
Authors:Patel, O, Lucet, I, Panjikar, S.
Deposit date:2021-10-11
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal structure of the putative cell-wall lipoglycan biosynthesis protein LmcA from Mycobacterium smegmatis.
Acta Crystallogr D Struct Biol, 78, 2022
5JZN
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BU of 5jzn by Molmil
Crystal structure of DCLK1-KD in complex with NVP-TAE684
Descriptor: 5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N'-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE, SULFATE ION, Serine/threonine-protein kinase DCLK1
Authors:Patel, O, Lucet, I.
Deposit date:2016-05-17
Release date:2016-08-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Biochemical and Structural Insights into Doublecortin-like Kinase Domain 1.
Structure, 24, 2016
2GRV
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BU of 2grv by Molmil
Crystal Structure of LpqW
Descriptor: LpqW
Authors:Marland, Z, Rossjohn, J.
Deposit date:2006-04-25
Release date:2006-07-18
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Hijacking of a Substrate-binding Protein Scaffold for use in Mycobacterial Cell Wall Biosynthesis
J.Mol.Biol., 359, 2006
4BTF
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BU of 4btf by Molmil
Structure of MLKL
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, MIXED LINEAGE KINASE DOMAIN-LIKE PROTEIN
Authors:Czabotar, P.E, Murphy, J.M.
Deposit date:2013-06-16
Release date:2013-09-18
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:The Pseudokinase Mlkl Mediates Necroptosis Via a Molecular Switch Mechanism
Immunity, 39, 2013
5VE6
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BU of 5ve6 by Molmil
Crystal structure of Sugen kinase 223
Descriptor: Tyrosine-protein kinase SgK223
Authors:Patel, O, Lucet, I, Panjikar, S.
Deposit date:2017-04-03
Release date:2017-10-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.953 Å)
Cite:Structure of SgK223 pseudokinase reveals novel mechanisms of homotypic and heterotypic association.
Nat Commun, 8, 2017
5JZJ
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BU of 5jzj by Molmil
Crystal structure of DCLK1-KD in complex with AMPPN
Descriptor: AMP PHOSPHORAMIDATE, MAGNESIUM ION, SULFATE ION, ...
Authors:Patel, O, Lucet, I.
Deposit date:2016-05-17
Release date:2016-08-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Biochemical and Structural Insights into Doublecortin-like Kinase Domain 1.
Structure, 24, 2016
4GL9
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BU of 4gl9 by Molmil
Crystal structure of inhibitory protein SOCS3 in complex with JAK2 kinase domain and fragment of GP130 intracellular domain
Descriptor: 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Interleukin-6 receptor subunit beta, PHOSPHATE ION, ...
Authors:Kershaw, N.J, Murphy, J.M, Laktyushin, A, Nicola, N.A, Babon, J.J.
Deposit date:2012-08-14
Release date:2013-03-06
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:SOCS3 binds specific receptor-JAK complexes to control cytokine signaling by direct kinase inhibition.
Nat.Struct.Mol.Biol., 20, 2013
6O5Z
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BU of 6o5z by Molmil
Crystal Structure of the human MLKL pseudokinase domain bound to compound 2
Descriptor: 1,2-ETHANEDIOL, 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea, Mixed lineage kinase domain-like protein
Authors:Cowan, A.D, Murphy, J.M, Pierotti, C.L, Lessene, G.L, Czabotar, P.E.
Deposit date:2019-03-04
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.285 Å)
Cite:Potent Inhibition of Necroptosis by Simultaneously Targeting Multiple Effectors of the Pathway.
Acs Chem.Biol., 15, 2020
4MWI
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BU of 4mwi by Molmil
Crystal structure of the human MLKL pseudokinase domain
Descriptor: (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, GLYCEROL, Mixed lineage kinase domain-like protein
Authors:Czabotar, P.E, Murphy, J.M.
Deposit date:2013-09-25
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Insights into the evolution of divergent nucleotide-binding mechanisms among pseudokinases revealed by crystal structures of human and mouse MLKL.
Biochem.J., 457, 2014
2ZV7
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BU of 2zv7 by Molmil
Lyn Tyrosine Kinase Domain, apo form
Descriptor: Tyrosine-protein kinase Lyn
Authors:Williams, N.K, Rossjohn, J.
Deposit date:2008-11-04
Release date:2008-11-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of the Lyn Protein Tyrosine Kinase Domain in Its Apo- and Inhibitor-bound State
J.Biol.Chem., 284, 2009
6BWK
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BU of 6bwk by Molmil
Crystal structure of the human MLKL pseudokinase domain T357E/S358E mutant
Descriptor: GLYCEROL, Mixed lineage kinase domain-like protein
Authors:Cowan, A.D, Czabotar, P.E, Murphy, J.M.
Deposit date:2017-12-15
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Conformational switching of the pseudokinase domain promotes human MLKL tetramerization and cell death by necroptosis.
Nat Commun, 9, 2018
6C5X
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BU of 6c5x by Molmil
Crystal Structure of SOCS1 in complex with ElonginB and ElonginC
Descriptor: Elongin-B, Elongin-C, GP130 peptide fragment, ...
Authors:Kershaw, N.J, Laktyushin, A, Babon, J.J.
Deposit date:2018-01-17
Release date:2018-05-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.105 Å)
Cite:The molecular basis of JAK/STAT inhibition by SOCS1.
Nat Commun, 9, 2018
2ZV8
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BU of 2zv8 by Molmil
Lyn Tyrosine Kinase Domain-AMP-PNP complex
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase Lyn
Authors:Williams, N.K, Rossjohn, J.
Deposit date:2008-11-04
Release date:2008-11-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structures of the Lyn Protein Tyrosine Kinase Domain in Its Apo- and Inhibitor-bound State
J.Biol.Chem., 284, 2009
2ZVA
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BU of 2zva by Molmil
Lyn Tyrosine Kinase Domain-Dasatinib complex
Descriptor: N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Tyrosine-protein kinase Lyn
Authors:Williams, N.K, Rossjohn, J.
Deposit date:2008-11-04
Release date:2008-11-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structures of the Lyn Protein Tyrosine Kinase Domain in Its Apo- and Inhibitor-bound State
J.Biol.Chem., 284, 2009

 

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