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7KXW
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BU of 7kxw by Molmil
Crystal structure of DCLK1-KD in complex with DCLK1-IN-1
Descriptor: 2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5-(2,2,2-trifluoroethyl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase DCLK1, ...
Authors:Patel, O, Lucet, I.
Deposit date:2020-12-05
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:Structural basis for small molecule targeting of Doublecortin Like Kinase 1 with DCLK1-IN-1.
Commun Biol, 4, 2021
7KX6
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BU of 7kx6 by Molmil
Crystal structure of DCLK1-KD in complex with XMD8-85
Descriptor: 2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Serine/threonine-protein kinase DCLK1
Authors:Patel, O, Lucet, I.
Deposit date:2020-12-03
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for small molecule targeting of Doublecortin Like Kinase 1 with DCLK1-IN-1.
Commun Biol, 4, 2021
7KX8
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BU of 7kx8 by Molmil
Crystal structure of DCLK1-Cter in complex with FMF-03-055-1
Descriptor: 5-ethyl-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Serine/threonine-protein kinase DCLK1
Authors:Patel, O, Lucet, I.
Deposit date:2020-12-03
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for small molecule targeting of Doublecortin Like Kinase 1 with DCLK1-IN-1.
Commun Biol, 4, 2021
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
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
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
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
3TN0
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BU of 3tn0 by Molmil
Structure of mouse Va14Vb8.2NKT TCR-mouse CD1d-a-C-Galactosylceramide complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Patel, O, Rossjohn, J.
Deposit date:2011-09-01
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:NKT TCR Recognition of CD1d-{alpha}-C-Galactosylceramide.
J.Immunol., 187, 2011
3TO4
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BU of 3to4 by Molmil
Structure of mouse Valpha14Vbeta2-mouseCD1d-alpha-Galactosylceramide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Patel, O, Rossjohn, J.
Deposit date:2011-09-04
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Vbeta2 natural killer T cell antigen receptor-mediated recognition of CD1d-glycolipid antigen.
Proc.Natl.Acad.Sci.USA, 108, 2011
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
4EI5
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BU of 4ei5 by Molmil
Crystal Structure of XV19 TCR in complex with CD1d-sulfatide C24:1
Descriptor: (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Patel, O, Gras, S, Rossjohn, J.
Deposit date:2012-04-04
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Recognition of CD1d-sulfatide mediated by a type II natural killer T cell antigen receptor.
Nat.Immunol., 13, 2012
4EI6
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BU of 4ei6 by Molmil
Structure of XV19 Valpha1-Vbeta16 Type-II Natural Killer T cell receptor
Descriptor: Valpha1 XV19 Type II Natural Killer T cell receptor (mouse variable domain, human constant domain), Vbeta16 XV19 Type II Natural Killer T cell receptor (mouse variable domain
Authors:Patel, O, Rossjohn, J.
Deposit date:2012-04-04
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Recognition of CD1d-sulfatide mediated by a type II natural killer T cell antigen receptor.
Nat.Immunol., 13, 2012
4L4T
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BU of 4l4t by Molmil
Structure of human MAIT TCR in complex with human MR1-6-FP
Descriptor: 2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde, Beta-2-microglobulin, MAIT T-cell receptor alpha chain, ...
Authors:Patel, O, Kjer-Nielsen, L, Le Nours, J, Eckle, S.B.G, Birkinshaw, R.W, Beddoe, T, Corbett, A.J, Liu, L, Miles, J.J, Meehan, B, Reantragoon, R, Sandoval-Romero, M.L, Sullivan, L.C, Brooks, A.G, Chen, Z, Fairlie, D.P, McCluskey, J, Rossjohn, J.
Deposit date:2013-06-09
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Recognition of vitamin B metabolites by mucosal-associated invariant T cells.
Nat Commun, 4, 2013
4L4V
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BU of 4l4v by Molmil
Structure of human MAIT TCR in complex with human MR1-RL-6-Me-7-OH
Descriptor: 1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
Authors:Patel, O, Kjer-Nielsen, L, Le Nours, J, Eckle, S.B.G, Birkinshaw, R.W, Beddoe, T, Corbett, A.J, Liu, L, Miles, J.J, Meehan, B, Reantragoon, R, Sandoval-Romero, M.L, Sullivan, L.C, Brooks, A.G, Chen, Z, Fairlie, D.P, McCluskey, J, Rossjohn, J.
Deposit date:2013-06-09
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Recognition of vitamin B metabolites by mucosal-associated invariant T cells.
Nat Commun, 4, 2013
3HE6
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BU of 3he6 by Molmil
Crystal structure of mouse CD1d-alpha-galactosylceramide with mouse Valpha14-Vbeta8.2 NKT TCR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Patel, O, Rossjohn, J.
Deposit date:2009-05-07
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Differential recognition of CD1d-alpha-galactosyl ceramide by the V beta 8.2 and V beta 7 semi-invariant NKT T cell receptors
Immunity, 31, 2009
3HE7
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BU of 3he7 by Molmil
Crystal structure of mouse CD1d-alpha-galactosylceramide with mouse Valpha14-Vbeta7 NKT TCR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Patel, O, Rossjohn, J.
Deposit date:2009-05-08
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Differential recognition of CD1d-alpha-galactosyl ceramide by the V beta 8.2 and V beta 7 semi-invariant NKT T cell receptors
Immunity, 31, 2009
3AXL
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BU of 3axl by Molmil
Murine Valpha 10 Vbeta 8.1 T-cell receptor
Descriptor: Valpha 10, Vbeta 8.1
Authors:Patel, O, Rossjohn, J.
Deposit date:2011-04-11
Release date:2011-08-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A semi-invariant V(alpha)10(+) T cell antigen receptor defines a population of natural killer T cells with distinct glycolipid antigen-recognition properties
Nat.Immunol., 12, 2011
4DZB
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BU of 4dzb by Molmil
Mucosal-associated invariant T cell receptor, Valpha7.2Jalpha33-Vbeta2
Descriptor: Valpha7.2-Jalpha33 (MAIT T cell receptor), Vbeta2 (MAIT T cell receptor)
Authors:Patel, O, Rossjohn, J.
Deposit date:2012-03-01
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insight into MR1-mediated recognition of the mucosal associated invariant T cell receptor.
J.Exp.Med., 209, 2012
4GUP
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BU of 4gup by Molmil
Structure of MHC-class I related molecule MR1
Descriptor: 2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Patel, O, Le Nours, J, Rossjohn, J.
Deposit date:2012-08-29
Release date:2012-10-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:MR1 presents microbial vitamin B metabolites to MAIT cells
Nature, 491, 2012
3RUG
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BU of 3rug by Molmil
Crystal structure of Valpha10-Vbeta8.1 NKT TCR in complex with CD1d-alphaglucosylceramide (C20:2)
Descriptor: (11E,14E)-N-[(2S,3S,4R)-1-(alpha-D-glucopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Patel, O, Rossjohn, J.
Deposit date:2011-05-05
Release date:2011-08-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A semi-invariant V(alpha)10(+) T cell antigen receptor defines a population of natural killer T cells with distinct glycolipid antigen-recognition properties
Nat.Immunol., 12, 2011
4LCW
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BU of 4lcw by Molmil
The structure of human MAIT TCR in complex with MR1-K43A-RL-6-Me-7OH
Descriptor: 1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
Authors:Patel, O, Rossjohn, J.
Deposit date:2013-06-24
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Antigen-loaded MR1 tetramers define T cell receptor heterogeneity in mucosal-associated invariant T cells.
J.Exp.Med., 210, 2013
8DFW
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BU of 8dfw by Molmil
Crystal Structure of Human BTN2A1 in Complex With Vgamma9-Vdelta2 T Cell Receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Butyrophilin subfamily 2 member A1, ...
Authors:Fulford, T.S, Soliman, C, Castle, R.G, Rigau, M, Ruan, Z, Dolezal, O, Seneviratna, R, Brown, H.G, Hanssen, E, Hammet, A, Li, S, Redmond, S.J, Chung, A, Gorman, M.A, Parker, M.W, Patel, O, Peat, T.S, Newman, J, Behren, A, Gherardin, N.A, Godfrey, D.I, Uldrich, A.P.
Deposit date:2022-06-22
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers
To Be Published
8DFY
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BU of 8dfy by Molmil
Crystal structure of Human BTN2A1 Ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Butyrophilin subfamily 2 member A1, ...
Authors:Fulford, T.S, Soliman, C, Castle, R.G, Rigau, M, Ruan, Z, Dolezal, O, Seneviratna, R, Brown, H.G, Hanssen, E, Hammet, A, Li, S, Redmond, S.J, Chung, A, Gorman, M.A, Parker, M.W, Patel, O, Peat, T.S, Newman, J, Behren, A, Gherardin, N.A, Godfrey, D.I, Uldrich, A.P.
Deposit date:2022-06-22
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.552 Å)
Cite:Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers
To Be Published
8DFX
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BU of 8dfx by Molmil
Crystal structure of Human BTN2A1-BTN3A1 Ectodomain Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Butyrophilin subfamily 2 member A1, Butyrophilin subfamily 3 member A1
Authors:Fulford, T.S, Soliman, C, Castle, R.G, Rigau, M, Ruan, Z, Dolezal, O, Seneviratna, R, Brown, H.G, Hanssen, E, Hammet, A, Li, S, Redmond, S.J, Chung, A, Gorman, M.A, Parker, M.W, Patel, O, Peat, T.S, Newman, J, Behren, A, Gherardin, N.A, Godfrey, D.I, Uldrich, A.P.
Deposit date:2022-06-22
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (5.55 Å)
Cite:Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers
To Be Published
3EYH
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BU of 3eyh by Molmil
Crystal structures of JAK1 and JAK2 inhibitor complexes
Descriptor: 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Tyrosine-protein kinase
Authors:Williams, N.K, Bamert, R.S, Patell, O, Wang, C, Walden, P.M, Fantino, E.
Deposit date:2008-10-20
Release date:2009-02-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 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

 

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