3MIN
 
 | | NITROGENASE MOFE PROTEIN FROM AZOTOBACTER VINELANDII, OXIDIZED STATE | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Peters, J.W, Stowell, M.H.B, Soltis, S.M, Day, M.W, Kim, J, Rees, D.C. | | Deposit date: | 1996-12-20 | | Release date: | 1997-04-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Redox-dependent structural changes in the nitrogenase P-cluster.
Biochemistry, 36, 1997
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7SEZ
 | | Crystal structure of Vaccinia Virus decapping enzyme D9 in complex with m7GDP | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, DNA repair NTP-phosphohydrolase, SODIUM ION | | Authors: | Peters, J.K, Tibble, R.W, Warminski, M, Jemielity, J, Gross, J.D. | | Deposit date: | 2021-10-02 | | Release date: | 2022-03-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.70001245 Å) | | Cite: | Structure of the poxvirus decapping enzyme D9 reveals its mechanism of cap recognition and catalysis.
Structure, 30, 2022
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7SF0
 | | Crystal structure of Vaccinia Virus decapping enzyme D9 in complex with trinucleotide substrate | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, DNA repair NTP-phosphohydrolase, MAGNESIUM ION, ... | | Authors: | Peters, J.K, Tibble, R.W, Warminski, M, Jemielity, J, Gross, J.D. | | Deposit date: | 2021-10-02 | | Release date: | 2022-03-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95000446 Å) | | Cite: | Structure of the poxvirus decapping enzyme D9 reveals its mechanism of cap recognition and catalysis.
Structure, 30, 2022
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3K1A
 | | Insights into substrate binding at FeMo-cofactor in nitrogenase from the structure of an alpha-70Ile MoFe protein variant | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(7)-MO-S(9)-N CLUSTER, ... | | Authors: | Peters, J.W, Sarma, R, Barney, B.M, Keable, S, Seefeldt, L.C, Dean, D.R. | | Deposit date: | 2009-09-26 | | Release date: | 2010-02-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Insights into substrate binding at FeMo-cofactor in nitrogenase from the structure of an alpha-70(Ile) MoFe protein variant
J.Inorg.Biochem., 104, 2010
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2MIN
 | | NITROGENASE MOFE PROTEIN FROM AZOTOBACTER VINELANDII, OXIDIZED STATE | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Peters, J.W, Stowell, M.H.B, Soltis, S.M, Day, M.W, Kim, J, Rees, D.C. | | Deposit date: | 1996-12-20 | | Release date: | 1997-04-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Redox-dependent structural changes in the nitrogenase P-cluster.
Biochemistry, 36, 1997
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7T7H
 | | Crystal structure of Vaccinia Virus decapping enzyme D9 in complex with inhibitor CP100356 | | Descriptor: | 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-2-amine, DNA repair NTP-phosphohydrolase, SODIUM ION | | Authors: | Peters, J.K, Gross, J.D. | | Deposit date: | 2021-12-15 | | Release date: | 2022-06-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.78000259 Å) | | Cite: | Fluorescence-Based Activity Screening Assay Reveals Small Molecule Inhibitors of Vaccinia Virus mRNA Decapping Enzyme D9.
Acs Chem.Biol., 17, 2022
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1FEH
 | | FE-ONLY HYDROGENASE FROM CLOSTRIDIUM PASTEURIANUM | | Descriptor: | 2 IRON/2 SULFUR/5 CARBONYL/2 WATER INORGANIC CLUSTER, FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, ... | | Authors: | Peters, J.W, Lanzilotta, W.N, Lemon, B.J, Seefeldt, L.C. | | Deposit date: | 1998-10-28 | | Release date: | 1999-01-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystal structure of the Fe-only hydrogenase (CpI) from Clostridium pasteurianum to 1.8 angstrom resolution.
Science, 282, 1998
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1LRV
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3VCL
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6XP6
 | | 3C11-DQ2-glia-a2 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, 3.C11 IgH Fab, ... | | Authors: | Petersen, J, Rossjohn, J. | | Deposit date: | 2020-07-08 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A high-affinity human TCR-like antibody detects celiac disease gluten peptide-MHC complexes and inhibits T cell activation.
Sci Immunol, 6, 2021
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8QFZ
 | | TSLP-Bicycle complex | | Descriptor: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, CYS-HIS-TRP-LEU-GLU-ASN-CYS-TRP-ARG-GLY-PHE-CYS, Thymic stromal lymphopoietin | | Authors: | Petersen, J. | | Deposit date: | 2023-09-05 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovery and Characterization of a Bicyclic Peptide (Bicycle) Binder to Thymic Stromal Lymphopoietin.
J.Med.Chem., 67, 2024
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7OIL
 | | mPI3Kd in complex with compound 58 | | Descriptor: | 2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION | | Authors: | Petersen, J. | | Deposit date: | 2021-05-11 | | Release date: | 2021-07-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
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7OI4
 | | mPI3Kd in complex with compound 12 | | Descriptor: | N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Petersen, J. | | Deposit date: | 2021-05-11 | | Release date: | 2021-07-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
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7OIS
 | | mPI3Kd in complex with compound 7 | | Descriptor: | N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION | | Authors: | Petersen, J. | | Deposit date: | 2021-05-12 | | Release date: | 2021-07-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
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7OIJ
 | | mPI3Kd in complex with an inhibitor | | Descriptor: | 6-[[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION, ... | | Authors: | Petersen, J. | | Deposit date: | 2021-05-11 | | Release date: | 2021-07-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
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6MFF
 | | HLA-DQ2-glia-omega1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DQ alpha 1 chain, ... | | Authors: | Petersen, J, Ciacchi, L, Rossjohn, J. | | Deposit date: | 2018-09-10 | | Release date: | 2018-11-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discriminative T-cell receptor recognition of highly homologous HLA-DQ2-bound gluten epitopes.
J. Biol. Chem., 294, 2019
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6MFG
 | | HLA-DQ2-glia-alpha1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DQ alpha 1 chain, ... | | Authors: | Petersen, J, Ciacchi, L, Rossjohn, J. | | Deposit date: | 2018-09-10 | | Release date: | 2018-11-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discriminative T-cell receptor recognition of highly homologous HLA-DQ2-bound gluten epitopes.
J. Biol. Chem., 294, 2019
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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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5NCZ
 | | mPI3Kd IN COMPLEX WITH inh1 | | Descriptor: | 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Petersen, J. | | Deposit date: | 2017-03-06 | | Release date: | 2017-06-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration.
J. Med. Chem., 60, 2017
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5NCY
 | | mPI3Kd IN COMPLEX WITH inh1 | | Descriptor: | 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ... | | Authors: | Petersen, J. | | Deposit date: | 2017-03-06 | | Release date: | 2017-06-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration.
J. Med. Chem., 60, 2017
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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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6FTN
 | | mPI3Kd IN COMPLEX WITH AZ2 | | Descriptor: | Phosphor inositol 3 kinase, ~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide | | Authors: | Petersen, J. | | Deposit date: | 2018-02-22 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Highly Isoform Selective Orally Bioavailable Phosphoinositide 3-Kinase (PI3K)-gamma Inhibitors.
J. Med. Chem., 61, 2018
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6U3O
 | | JR51 DQ2-p.aeru-alpha2a complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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. | | Deposit date: | 2019-08-22 | | Release date: | 2019-12-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.743 Å) | | Cite: | T cell receptor cross-reactivity between gliadin and bacterial peptides in celiac disease.
Nat.Struct.Mol.Biol., 27, 2020
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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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