4KEG
 
 | | Crystal Structure of MBP Fused Human SPLUNC1 | | Descriptor: | MAGNESIUM ION, Maltose-binding periplasmic/Palate lung and nasal epithelium clone fusion protein, octyl beta-D-glucopyranoside | | Authors: | Ning, F, Wang, C, Niu, L, Chu, H.W, Zhang, G. | | Deposit date: | 2013-04-25 | | Release date: | 2014-04-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Lipid Ligands of the SPLUNC1 Protein
To be Published
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4N4X
 | | Crystal Structure of the MBP fused human SPLUNC1 (native form) | | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Maltose-binding periplasmic/Palate lung and nasal epithelium clone fusion protein | | Authors: | Ning, F, Wang, C, Niu, L, Chu, H.W, Zhang, G. | | Deposit date: | 2013-10-08 | | Release date: | 2014-09-17 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Lipid ligands of human SPLUNC1
To be Published
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4FD3
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3QPE
 | | Crystal structure of Galacturonate Dehydratase from GEOBACILLUS SP. complexed with D-Galacturonate and 5-keto-4-deoxy-D-Galacturonate | | Descriptor: | 4-deoxy-L-threo-hex-5-ulosuronic acid, D-galacturonic acid, GLYCEROL, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Mills-Groninger, F, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2011-02-12 | | Release date: | 2012-02-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.796 Å) | | Cite: | Crystal structure of Galacturonate Dehydratase from GEOBACILLUS SP. complexed with D-Galacturonate and 5-keto-4-deoxy-D-Galacturonate
To be Published
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3PFR
 | | Crystal structure of D-Glucarate dehydratase related protein from Actinobacillus Succinogenes complexed with D-Glucarate | | Descriptor: | D-GLUCARATE, MAGNESIUM ION, Mandelate racemase/muconate lactonizing protein | | Authors: | Fedorov, A.A, Fedorov, E.V, Mills-Groninger, F, Ghasempur, S, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2010-10-29 | | Release date: | 2011-11-02 | | Method: | X-RAY DIFFRACTION (1.899 Å) | | Cite: | Crystal structure of D-Glucarate dehydratase related protein from Actinobacillus Succinogenes complexed with D-Glucarate
To be Published
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4ZM1
 | | Shigella flexneri lipopolysaccharide O-antigen chain-length regulator WzzBSF - wild type | | Descriptor: | CITRIC ACID, Chain length determinant protein, MAGNESIUM ION | | Authors: | Ericsson, D.J, Chang, C.-W, Lonhienne, T, Casey, L, Benning, F, Kobe, B, Tran, E.N.H, Morona, R. | | Deposit date: | 2015-05-02 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural and Biochemical Analysis of a Single Amino-Acid Mutant of WzzBSF That Alters Lipopolysaccharide O-Antigen Chain Length in Shigella flexneri.
Plos One, 10, 2015
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4Z7U
 | | S13 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DQ-alpha chain, MHC class II HLA-DQ-beta-1, ... | | Authors: | Petersen, J, Rossjohn, J, Reid, H.H, Koning, F. | | Deposit date: | 2015-04-08 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Determinants of Gliadin-Specific T Cell Selection in Celiac Disease.
J Immunol., 194, 2015
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4Z7W
 | | T316 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DQ8-glia-alpha1, MHC class II HLA-DQ-alpha chain, ... | | Authors: | Petersen, J, Rossjohn, J, Reid, H.H, Koning, F. | | Deposit date: | 2015-04-08 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Determinants of Gliadin-Specific T Cell Selection in Celiac Disease.
J Immunol., 194, 2015
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4Z7V
 | | L3-12 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DQ-alpha chain, MHC class II HLA-DQ-beta-1, ... | | Authors: | Petersen, J, Rossjohn, J, Reid, H.H, Koning, F. | | Deposit date: | 2015-04-08 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Determinants of Gliadin-Specific T Cell Selection in Celiac Disease.
J Immunol., 194, 2015
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4ZM5
 | | Shigella flexneri lipopolysaccharide O-antigen chain-length regulator WzzBSF - A107P mutant | | Descriptor: | CHLORIDE ION, Chain length determinant protein, MAGNESIUM ION | | Authors: | Ericsson, D.J, Chang, C.-W, Lonhienne, T, Casey, L, Benning, F, Kobe, B, Tran, E.N.H, Morona, R. | | Deposit date: | 2015-05-02 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Structural and Biochemical Analysis of a Single Amino-Acid Mutant of WzzBSF That Alters Lipopolysaccharide O-Antigen Chain Length in Shigella flexneri.
Plos One, 10, 2015
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7R2V
 | | Structure of nsp14 from SARS-CoV-2 in complex with SAH | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Proofreading exoribonuclease nsp14, ... | | Authors: | Czarna, A, Plewka, J, Kresik, L, Matsuda, A, Abdulkarim, K, Robinson, C, OByrne, S, Cunningham, F, Georgiou, I, Pachota, M, Popowicz, G.M, Wyatt, P.G, Dubin, G, Pyrc, K. | | Deposit date: | 2022-02-06 | | Release date: | 2022-03-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Refolding of lid subdomain of SARS-CoV-2 nsp14 upon nsp10 interaction releases exonuclease activity.
Structure, 30, 2022
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6Y2I
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6Y2J
 | | Crystal structure of M. tuberculosis KasA in complex with 4,4,4-trifluoro-N-(isoquinolin-6-yl)butane-1-sulfonamide | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, 4,4,4-tris(fluoranyl)-~{N}-isoquinolin-6-yl-butane-1-sulfonamide, SODIUM ION, ... | | Authors: | Chung, C. | | Deposit date: | 2020-02-16 | | Release date: | 2020-04-08 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.886 Å) | | Cite: | Exploring the SAR of the beta-Ketoacyl-ACP Synthase Inhibitor GSK3011724A and Optimization around a Genotoxic Metabolite.
Acs Infect Dis., 6, 2020
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6AVS
 | | Complex structure of JMJD5 and Symmetric Monomethyl-Arginine (MMA) | | Descriptor: | (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, Lysine-specific demethylase 8, ZINC ION | | Authors: | Lee, S, Liu, H, Wang, Y, Dai, S, Zhang, G. | | Deposit date: | 2017-09-04 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Specific Recognition of Arginine Methylated Histone Tails by JMJD5 and JMJD7.
Sci Rep, 8, 2018
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6AX3
 | | Complex structure of JMJD5 and Symmetric Dimethyl-Arginine (SDMA) | | Descriptor: | 2-OXOGLUTARIC ACID, Lysine-specific demethylase 8, N3, ... | | Authors: | Lee, S, Liu, H, Wang, Y, Dai, S, Zhang, G. | | Deposit date: | 2017-09-06 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Specific Recognition of Arginine Methylated Histone Tails by JMJD5 and JMJD7.
Sci Rep, 8, 2018
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5DMG
 | | X-RAY STRUCTURE OF THE FAB FRAGMENT OF THE ANTI TAU ANTIBODY RB86 IN COMPLEX WITH THE PHOSPHORYLATED TAU PEPTIDE (416-430) | | Descriptor: | Microtubule-associated protein, RB86 antibody Fab fragment heavy chain, RB86 antibody Fab fragment light chain | | Authors: | Benz, J, Lorenz, S, Georges, G, Jochner, A, Goepfert, U, Grueninger, F, Bujotzek, A. | | Deposit date: | 2015-09-08 | | Release date: | 2015-12-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | VH-VL orientation prediction for antibody humanization candidate selection: A case study.
Mabs, 8, 2016
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5KSB
 | | T15-DQ8.5-glia-gamma1 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, DQ8.5-glia-gamma1 peptide, ... | | Authors: | Petersen, J, Rossjohn, J, Reid, H.H. | | Deposit date: | 2016-07-08 | | Release date: | 2016-09-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Diverse T Cell Receptor Gene Usage in HLA-DQ8-Associated Celiac Disease Converges into a Consensus Binding Solution.
Structure, 24, 2016
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5KS9
 | | Bel502-DQ8-glia-alpha1 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bel502 TCR alpha TRAV20*01, Bel502 TCR beta TRBV9*01, ... | | Authors: | Petersen, J, Rossjohn, J, Reid, H.H. | | Deposit date: | 2016-07-08 | | Release date: | 2016-09-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Diverse T Cell Receptor Gene Usage in HLA-DQ8-Associated Celiac Disease Converges into a Consensus Binding Solution.
Structure, 24, 2016
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5KSA
 | | Bel602-DQ8.5-glia-gamma1 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bel602 alpha TRAV20*01, Bel602 beta TRBV9*01, ... | | Authors: | Petersen, J, Rossjohn, J, Reid, H.H. | | Deposit date: | 2016-07-08 | | Release date: | 2016-09-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Diverse T Cell Receptor Gene Usage in HLA-DQ8-Associated Celiac Disease Converges into a Consensus Binding Solution.
Structure, 24, 2016
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4OZF
 | | JR5.1 protein complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DQ alpha 1 chain, ... | | Authors: | Petersen, J, Reid, H.H, Rossjohn, J. | | Deposit date: | 2014-02-15 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | T-cell receptor recognition of HLA-DQ2-gliadin complexes associated with celiac disease.
Nat.Struct.Mol.Biol., 21, 2014
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4OZI
 | | S2 protein complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HLA class II histocompatibility antigen, ... | | Authors: | Petersen, J, Reid, H.H, Rossjohn, J. | | Deposit date: | 2014-02-16 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | T-cell receptor recognition of HLA-DQ2-gliadin complexes associated with celiac disease.
Nat.Struct.Mol.Biol., 21, 2014
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4GG6
 | | 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
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4GG8
 | | 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
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3PJC
 | | Crystal structure of JAK3 complexed with a potent ATP site inhibitor showing high selectivity within the Janus kinase family | | Descriptor: | 3-(1H-indol-3-yl)-4-[2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrole-2,5-dione, Tyrosine-protein kinase JAK3 | | Authors: | Tavares, G.A, Thoma, G, Zerwes, H.-G, Kroemer, M. | | Deposit date: | 2010-11-09 | | Release date: | 2010-12-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification of a Potent Janus Kinase 3 Inhibitor with High Selectivity within the Janus Kinase Family.
J.Med.Chem., 54, 2011
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4OZH
 | | S16 protein complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Gliadin-alpha2 peptide, ... | | Authors: | Petersen, J, Reid, H.H, Rossjohn, J. | | Deposit date: | 2014-02-16 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | T-cell receptor recognition of HLA-DQ2-gliadin complexes associated with celiac disease.
Nat.Struct.Mol.Biol., 21, 2014
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