5UGC
 
 | | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | | Descriptor: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ... | | Authors: | Gajiwala, K.S, Ferre, R.A. | | Deposit date: | 2017-01-08 | | Release date: | 2017-03-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
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3VRI
 | | HLA-B*57:01-RVAQLENVYI in complex with abacavir | | Descriptor: | 10-mer peptide, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Vivian, J.P, Illing, P.T, McCluskey, J, Rossjohn, J. | | Deposit date: | 2012-04-11 | | Release date: | 2012-05-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Immune self-reactivity triggered by drug-modified HLA-peptide repertoire
Nature, 486, 2012
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4LCW
 | | 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
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4NUN
 | | Crystal structure of copper-bound Na-ASP-2 | | Descriptor: | Ancylostoma secreted protein 2, COPPER (II) ION | | Authors: | Hofmann, A. | | Deposit date: | 2013-12-03 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Probing the equatorial groove of the hookworm protein and vaccine candidate antigen, Na-ASP-2.
Int.J.Biochem.Cell Biol., 50, 2014
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4NUO
 | | Crystal structure of zinc-bound Na-ASP-2 | | Descriptor: | Ancylostoma secreted protein 2, ZINC ION | | Authors: | Hofmann, A. | | Deposit date: | 2013-12-03 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Probing the equatorial groove of the hookworm protein and vaccine candidate antigen, Na-ASP-2.
Int.J.Biochem.Cell Biol., 50, 2014
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4NUK
 | | Crystal structure of nickel-bound Na-ASP-2 | | Descriptor: | Ancylostoma secreted protein 2, NICKEL (II) ION | | Authors: | Hofmann, A. | | Deposit date: | 2013-12-03 | | Release date: | 2014-05-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Probing the equatorial groove of the hookworm protein and vaccine candidate antigen, Na-ASP-2.
Int.J.Biochem.Cell Biol., 50, 2014
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3VRJ
 | | HLA-B*57:01-LTTKLTNTNI in complex with abacavir | | Descriptor: | 10-mer peptide, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Vivian, J.P, Illing, P.T, McCluskey, J, Rossjohn, J. | | Deposit date: | 2012-04-11 | | Release date: | 2012-05-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Immune self-reactivity triggered by drug-modified HLA-peptide repertoire
Nature, 486, 2012
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4NUI
 | | Crystal structure of cobalt-bound Na-ASP-2 | | Descriptor: | Ancylostoma secreted protein 2, COBALT (II) ION | | Authors: | Hofmann, A. | | Deposit date: | 2013-12-03 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Probing the equatorial groove of the hookworm protein and vaccine candidate antigen, Na-ASP-2.
Int.J.Biochem.Cell Biol., 50, 2014
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6Q2W
 | | Crystal structure of human ROR gamma LBD in complex with a quinoline sulfonamide inverse agonist | | Descriptor: | (2~{S})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{N}-methyl-pyrrolidine-2-carboxamide, Nuclear receptor ROR-gamma | | Authors: | Ciesielski, F, Amaudrut, J, Argiriadi, M.A, Barth, M, Breinlinger, E.C, Calderwood, D.J, Cusack, K.P, Kort, M.E, Montalbetti, C, Potin, D, Poupardin, O, Spitzer, L. | | Deposit date: | 2018-12-03 | | Release date: | 2019-05-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Discovery of novel quinoline sulphonamide derivatives as potent, selective and orally active ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 29, 2019
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4GUP
 | | 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
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1HFS
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2RFX
 | | Crystal Structure of HLA-B*5701, presenting the self peptide, LSSPVTKSF | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Archbold, J.K, Macdonald, W.A, Rossjohn, J, McCluskey, J. | | Deposit date: | 2007-10-02 | | Release date: | 2008-07-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Human leukocyte antigen class I-restricted activation of CD8+ T cells provides the immunogenetic basis of a systemic drug hypersensitivity
Immunity, 28, 2008
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4DZB
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7T79
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7T78
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4NQC
 | | Crystal structure of TCR-MR1 ternary complex and covalently bound 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil | | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ... | | Authors: | Birkinshaw, R.W, Rossjohn, J. | | Deposit date: | 2013-11-25 | | Release date: | 2014-04-16 | | Last modified: | 2014-11-19 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | T-cell activation by transitory neo-antigens derived from distinct microbial pathways.
Nature, 509, 2014
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4NQE
 | | Crystal structure of TCR-MR1 ternary complex bound to 5-(2-oxoethylideneamino)-6-D-ribitylaminouracil | | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ... | | Authors: | Birkinshaw, R.W, Rossjohn, J. | | Deposit date: | 2013-11-25 | | Release date: | 2014-04-16 | | Last modified: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | T-cell activation by transitory neo-antigens derived from distinct microbial pathways.
Nature, 509, 2014
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3HUJ
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4NQD
 | | Crystal structure of TCR-MR1 ternary complex and non-covalently bound 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil | | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Birkinshaw, R.W, Rossjohn, J. | | Deposit date: | 2013-11-25 | | Release date: | 2014-04-16 | | Last modified: | 2014-11-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | T-cell activation by transitory neo-antigens derived from distinct microbial pathways.
Nature, 509, 2014
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2NX5
 | | Crystal structure of ELS4 TCR bound to HLA-B*3501 presenting EBV peptide EPLPQGQLTAY at 1.7A | | Descriptor: | Beta-2-microglobulin, EBV peptide, EPLPQGQLTAY, ... | | Authors: | Tynan, F.E, Reid, H.H, Rossjohn, J. | | Deposit date: | 2006-11-16 | | Release date: | 2007-02-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A T cell receptor flattens a bulged antigenic peptide presented by a major histocompatibility complex class I molecule
Nat.Immunol., 8, 2007
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2NW3
 | | Crystal structure of HLA-B*3508 presenting EBV peptide EPLPQGQLTAY at 1.7A | | Descriptor: | Beta-2-microglobulin, EBV peptide EPLPQGQLTAY, HLA class I histocompatibility antigen, ... | | Authors: | Tynan, F.E, Reid, H.H, Rossjohn, J. | | Deposit date: | 2006-11-14 | | Release date: | 2007-02-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A T cell receptor flattens a bulged antigenic peptide presented by a major histocompatibility complex class I molecule
Nat.Immunol., 8, 2007
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2NW2
 | | Crystal structure of ELS4 TCR at 1.4A | | Descriptor: | ELS4 TCR alpha chain, ELS4 TCR beta chain | | Authors: | Tynan, F.E, Reid, H.H, Rossjohn, J. | | Deposit date: | 2006-11-14 | | Release date: | 2007-02-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A T cell receptor flattens a bulged antigenic peptide presented by a major histocompatibility complex class I molecule
Nat.Immunol., 8, 2007
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3TO4
 | | 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
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3KYN
 | | Crystal structure of HLA-G presenting KGPPAALTL peptide | | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, COBALT (II) ION, ... | | Authors: | Walpole, N.G, Rossjohn, J, Clements, C.S. | | Deposit date: | 2009-12-06 | | Release date: | 2010-02-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The structure and stability of the monomorphic HLA-G are influenced by the nature of the bound peptide
J.Mol.Biol., 397, 2010
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4AG3
 | | Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with NADPH at 1.8A resolution | | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PENTAETHYLENE GLYCOL | | Authors: | Cukier, C.D, Schnell, R, Schneider, G, Lindqvist, Y. | | Deposit date: | 2012-01-24 | | Release date: | 2013-02-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
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