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4GG6
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BU of 4gg6 by Molmil
Protein complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DQ alpha 1 chain, ...
Authors:Broughton, S.E, Theodossis, A, Petersen, J, Reid, H.H, Rossjohn, J.
Deposit date:2012-08-06
Release date:2012-10-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Biased T cell receptor usage directed against human leukocyte antigen DQ8-restricted gliadin peptides is associated with celiac disease.
Immunity, 37, 2012
4GG8
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BU of 4gg8 by Molmil
Immune Receptor
Descriptor: T-CELL RECEPTOR, SP3.4 ALPHA CHAIN, SP3.4 BETA CHAIN, ...
Authors:Broughton, S.E, Theodossis, A, Petersen, J, Reid, H.H, Rossjohn, J.
Deposit date:2012-08-06
Release date:2012-10-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Biased T cell receptor usage directed against human leukocyte antigen DQ8-restricted gliadin peptides is associated with celiac disease.
Immunity, 37, 2012
4Y19
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BU of 4y19 by Molmil
immune complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FS18_alpha, FS18_beta, ...
Authors:Beringer, D.X, Petersen, J, Reid, H.H, Rossjohn, J.
Deposit date:2015-02-07
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:T cell receptor reversed polarity recognition of a self-antigen major histocompatibility complex.
Nat.Immunol., 16, 2015
7N6E
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BU of 7n6e by Molmil
TCR peptide HLA-A2 complex
Descriptor: Beta-2-microglobulin, MHC class I antigen, Spike protein S1, ...
Authors:Chaurasia, P, Rossjohn, J, Petersen, J.
Deposit date:2021-06-08
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of biased T cell receptor recognition of an immunodominant HLA-A2 epitope of the SARS-CoV-2 spike protein.
J.Biol.Chem., 297, 2021
7N6D
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BU of 7n6d by Molmil
HLA peptide complex
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, MHC class I antigen, ...
Authors:Chaurasia, P, Petersen, J, Rossjohn, J.
Deposit date:2021-06-08
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of biased T cell receptor recognition of an immunodominant HLA-A2 epitope of the SARS-CoV-2 spike protein.
J.Biol.Chem., 297, 2021
5AIV
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BU of 5aiv by Molmil
Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor.
Descriptor: 3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, ...
Authors:Edfeldt, F, Evenas, J, Lepisto, M, Ward, A, Petersen, J, Wissler, L, Rohman, M, Sivars, U, Svensson, K, Perry, M, Feierberg, I, Zhou, X, Hansson, T, Narjes, F.
Deposit date:2015-02-17
Release date:2015-06-03
Last modified:2015-06-10
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds).
Bioorg.Med.Chem.Lett., 25, 2015
5AIX
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BU of 5aix by Molmil
Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor.
Descriptor: 6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, ...
Authors:Edfeldt, F, Evenas, J, Lepisto, M, Ward, A, Petersen, J, Wissler, L, Rohman, M, Sivars, U, Svensson, K, Perry, M, Feierberg, I, Zhou, X, Hansson, T, Narjes, F.
Deposit date:2015-02-18
Release date:2015-06-03
Last modified:2015-06-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds).
Bioorg.Med.Chem.Lett., 25, 2015
5AIS
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BU of 5ais by Molmil
Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor.
Descriptor: 4-(dimethylamino)-N-[5-(1H-indol-4-yl)pyridin-3-yl]butanamide, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, ...
Authors:Edfeldt, F, Evenas, J, Lepisto, M, Ward, A, Petersen, J, Wissler, L, Rohman, M, Sivars, U, Svensson, K, Perry, M, Feierberg, I, Zhou, X, Hansson, T, Narjes, F.
Deposit date:2015-02-17
Release date:2015-06-03
Last modified:2015-06-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds).
Bioorg.Med.Chem.Lett., 25, 2015
7SG1
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BU of 7sg1 by Molmil
XPA5 TCR in complex with HLA-DQ2-alpha1
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J.
Deposit date:2021-10-04
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis of T cell receptor specificity and cross-reactivity of two HLA-DQ2.5-restricted gluten epitopes in celiac disease.
J.Biol.Chem., 298, 2022
7SG2
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BU of 7sg2 by Molmil
XPA5 TCR in complex with HLA-DQ2-omega1
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J.
Deposit date:2021-10-04
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis of T cell receptor specificity and cross-reactivity of two HLA-DQ2.5-restricted gluten epitopes in celiac disease.
J.Biol.Chem., 298, 2022
7SG0
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BU of 7sg0 by Molmil
W316 TCR in complex with HLA-DQ2-omega1
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DQ2-glia-omega1 peptide, ...
Authors:Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J.
Deposit date:2021-10-04
Release date:2022-02-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of T cell receptor specificity and cross-reactivity of two HLA-DQ2.5-restricted gluten epitopes in celiac disease.
J.Biol.Chem., 298, 2022
7T2D
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BU of 7t2d by Molmil
Crystal structure of the B1 TCR in complex with HLA-DP4-Ply
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DP alpha 1 chain, ...
Authors:Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J.
Deposit date:2021-12-03
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:CD4 + T cell-mediated recognition of a conserved cholesterol-dependent cytolysin epitope generates broad antibacterial immunity.
Immunity, 56, 2023
7T2A
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BU of 7t2a by Molmil
Crystal structure of HLA-DP4 in complex with Ply
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DP alpha 1 chain, ...
Authors:Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J.
Deposit date:2021-12-03
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:CD4 + T cell-mediated recognition of a conserved cholesterol-dependent cytolysin epitope generates broad antibacterial immunity.
Immunity, 56, 2023
7T2C
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BU of 7t2c by Molmil
Crystal structure of the B5 TCR in complex with HLA-DP4-Ply
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J.
Deposit date:2021-12-03
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:CD4 + T cell-mediated recognition of a conserved cholesterol-dependent cytolysin epitope generates broad antibacterial immunity.
Immunity, 56, 2023
7T2B
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BU of 7t2b by Molmil
Crystal structure of the 5F TCR in complex with HLA-DP4-Ply
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J.
Deposit date:2021-12-03
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:CD4 + T cell-mediated recognition of a conserved cholesterol-dependent cytolysin epitope generates broad antibacterial immunity.
Immunity, 56, 2023
1XQM
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BU of 1xqm by Molmil
Variations on the GFP chromophore scaffold: A fragmented 5-membered heterocycle revealed in the 2.1A crystal structure of a non-fluorescent chromoprotein
Descriptor: ACETIC ACID, kindling fluorescent protein
Authors:Wilmann, P.G, Petersen, J, Devenish, R.J, Prescott, M, Rossjohn, J.
Deposit date:2004-10-13
Release date:2004-11-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Variations on the GFP chromophore: A polypeptide fragmentation within the chromophore revealed in the 2.1-A crystal structure of a nonfluorescent chromoprotein from Anemonia sulcata
J.Biol.Chem., 280, 2005
1YZW
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BU of 1yzw by Molmil
The 2.1A Crystal Structure of the Far-red Fluorescent Protein HcRed: Inherent Conformational Flexibility of the Chromophore
Descriptor: DI(HYDROXYETHYL)ETHER, GFP-like non-fluorescent chromoprotein
Authors:Wilmann, P.G, Petersen, J, Pettikiriarachchi, A, Buckle, A.M, Devenish, R.J, Prescott, M, Rossjohn, J.
Deposit date:2005-02-28
Release date:2005-05-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The 2.1A Crystal Structure of the Far-red Fluorescent Protein HcRed: Inherent Conformational Flexibility of the Chromophore
J.Mol.Biol., 349, 2005
3B8E
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BU of 3b8e by Molmil
Crystal structure of the sodium-potassium pump
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, MAGNESIUM ION, Na+/K+ ATPase gamma subunit transcript variant a, ...
Authors:Morth, J.P, Pedersen, P.B, Toustrup-Jensen, M.S, Soerensen, T.L.M, Petersen, J, Andersen, J.P, Vilsen, B, Nissen, P.
Deposit date:2007-11-01
Release date:2007-12-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of the sodium-potassium pump.
Nature, 450, 2007
2Y6D
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BU of 2y6d by Molmil
The Discovery of MMP7 Inhibitors Exploiting a Novel Selectivity Trigger
Descriptor: CALCIUM ION, MATRILYSIN, N-[(2S)-1-[4-(5-BROMOPYRIDIN-2-YL)PIPERAZIN-1-YL]SULFONYL-5-PYRIMIDIN-2-YL-PENTAN-2-YL]-N-HYDROXY-METHANAMIDE, ...
Authors:Edman, K, Furber, M, Hemsley, P, Johansson, C, Pairaudeau, G, Petersen, J, Stocks, M, Tervo, A, Ward, A, Wells, E, Wissler, L.
Deposit date:2011-01-20
Release date:2011-05-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Discovery of Mmp7 Inhibitors Exploiting a Novel Selectivity Trigger.
Chemmedchem, 6, 2011
2Y6C
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BU of 2y6c by Molmil
The Discovery of MMP7 inhibitors Exploiting a Novel Selectivity Trigger
Descriptor: CALCIUM ION, MATRILYSIN, N-{[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]SULFONYL}-L-TRYPTOPHAN, ...
Authors:Edman, K, Furber, M, Hemsley, P, Johansson, C, Pairaudeau, G, Petersen, J, Stocks, M, Tervo, A, Ward, A, Wells, E, Wissler, L.
Deposit date:2011-01-20
Release date:2011-05-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Discovery of Mmp7 Inhibitors Exploiting a Novel Selectivity Trigger.
Chemmedchem, 6, 2011
6S5K
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BU of 6s5k by Molmil
LXRbeta ligand binding domain in complex with small molecule inhibitors
Descriptor: 3-(4-phenylbutylamino)-1,4-bis(phenylmethyl)pyrrole-2,5-dione, Oxysterols receptor LXR-beta
Authors:Petersen, J.
Deposit date:2019-07-01
Release date:2019-12-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural analysis identifies an escape route from the adverse lipogenic effects of liver X receptor ligands.
Commun Biol, 2, 2019
6T3B
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BU of 6t3b by Molmil
Crystal structure of PI3Kgamma with a dihydropurinone inhibitor (compound 4)
Descriptor: 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Petersen, J, Oster, L, Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E.
Deposit date:2019-10-10
Release date:2020-01-01
Last modified:2020-04-22
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor.
J.Med.Chem., 63, 2020
4Y1A
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BU of 4y1a by Molmil
immune complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FS17_alpha, FS17_beta, ...
Authors:Beringer, D.X, Vivian, J.P, Reid, H.H, Rossjohn, J.
Deposit date:2015-02-07
Release date:2015-09-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (4 Å)
Cite:T cell receptor reversed polarity recognition of a self-antigen major histocompatibility complex.
Nat.Immunol., 16, 2015
6PY2
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BU of 6py2 by Molmil
HLA-TCR complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQ2.2-glut-L1, GLYCEROL, ...
Authors:Ting, Y.T, Peteren, J, Reid, H.H, Rossjohn, J.
Deposit date:2019-07-28
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.82543421 Å)
Cite:A molecular basis for the T cell response in HLA-DQ2.2 mediated celiac disease.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PX6
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BU of 6px6 by Molmil
HLA-TCR complex
Descriptor: DQ2.2-glut-L1, HLA class II histocompatibility antigen DQ alpha chain, HLA class II histocompatibility antigen DQ beta chain, ...
Authors:Ting, Y.T, Reid, H.H, Rossjohn, J.
Deposit date:2019-07-24
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.00000334 Å)
Cite:A molecular basis for the T cell response in HLA-DQ2.2 mediated celiac disease.
Proc.Natl.Acad.Sci.USA, 117, 2020

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