6GQ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gq7 by Molmil](/molmil-images/mine/6gq7) | PI3Kg IN COMPLEX WITH INH | Descriptor: | 3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Petersen, J. | Deposit date: | 2018-06-07 | Release date: | 2018-06-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | PI3Kg IN COMPLEX WITH INH To Be Published
|
|
2XYA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xya by Molmil](/molmil-images/mine/2xya) | Non-covalent inhibtors of rhinovirus 3C protease. | Descriptor: | 2-PHENYLQUINOLIN-4-OL, PICORNAIN 3C | Authors: | Petersen, J, Edman, K, Edfeldt, F, Johansson, C. | Deposit date: | 2010-11-16 | Release date: | 2011-04-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Non-Covalent Inhibitors of Rhinovirus 3C Protease. Bioorg.Med.Chem.Lett., 21, 2011
|
|
6S5K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6s5k by Molmil](/molmil-images/mine/6s5k) | 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 | Last modified: | 2024-05-15 | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t3b by Molmil](/molmil-images/mine/6t3b) | 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: | 2024-05-01 | 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
|
|
4V3E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v3e by Molmil](/molmil-images/mine/4v3e) | The CIDRa domain from IT4var07 PfEMP1 bound to endothelial protein C 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, ENDOTHELIAL PROTEIN C RECEPTOR, ... | Authors: | Lau, C.K.Y, Turner, L, Jespersen, J.S, Lowe, E.D, Petersen, B, Wang, C.W, Petersen, J.E.V, Lusingu, J, Theander, T.G, Lavstsen, T, Higgins, M.K. | Deposit date: | 2014-10-17 | Release date: | 2014-12-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Conservation Despite Huge Sequence Diversity Allows Epcr Binding by the Pfemp1 Family Implicated in Severe Childhood Malaria. Cell Host Microbe., 17, 2015
|
|
4V3D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v3d by Molmil](/molmil-images/mine/4v3d) | The CIDRa domain from HB3var03 PfEMP1 bound to endothelial protein C 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, ENDOTHELIAL PROTEIN C RECEPTOR, ... | Authors: | Lau, C.K.Y, Turner, L, Jespersen, J.S, Lowe, E.D, Petersen, B, Wang, C.W, Petersen, J.E.V, Lusingu, J, Theander, T.G, Lavstsen, T, Higgins, M.K. | Deposit date: | 2014-10-17 | Release date: | 2014-12-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural Conservation Despite Huge Sequence Diversity Allows Epcr Binding by the Pfemp1 Family Implicated in Severe Childhood Malaria. Cell Host Microbe., 17, 2015
|
|
7N6E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n6e by Molmil](/molmil-images/mine/7n6e) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n6d by Molmil](/molmil-images/mine/7n6d) | 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
|
|
4GG6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gg6 by Molmil](/molmil-images/mine/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
|
|
4GG8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gg8 by Molmil](/molmil-images/mine/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
|
|
7SG0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sg0 by Molmil](/molmil-images/mine/7sg0) | 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
|
|
7SG1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sg1 by Molmil](/molmil-images/mine/7sg1) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sg2 by Molmil](/molmil-images/mine/7sg2) | 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
|
|
2MSX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2msx by Molmil](/molmil-images/mine/2msx) | The solution structure of the MANEC-type domain from Hepatocyte Growth Factor Inhibitor 1 reveals an unexpected PAN/apple domain-type fold | Descriptor: | Kunitz-type protease inhibitor 1 | Authors: | Hong, Z, Nowakowski, M.E, Spronk, C, Petersen, S.V, Petersen, J.S, Kozminski, W, Mulder, F, Jensen, J.K. | Deposit date: | 2014-08-09 | Release date: | 2014-12-31 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The solution structure of the MANEC-type domain from hepatocyte growth factor activator inhibitor-1 reveals an unexpected PAN/apple domain-type fold. Biochem.J., 466, 2015
|
|
1PSP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1psp by Molmil](/molmil-images/mine/1psp) | PANCREATIC SPASMOLYTIC POLYPEPTIDE: FIRST THREE-DIMENSIONAL STRUCTURE OF A MEMBER OF THE MAMMALIAN TREFOIL FAMILY OF PEPTIDES | Descriptor: | PANCREATIC SPASMOLYTIC POLYPEPTIDE | Authors: | Gajhede, M, Petersen, T.N, Henriksen, A, Petersen, J.F.W, Dauter, Z, Wilson, K.S, Thim, L. | Deposit date: | 1994-01-05 | Release date: | 1994-04-30 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Pancreatic spasmolytic polypeptide: first three-dimensional structure of a member of the mammalian trefoil family of peptides. Structure, 1, 1993
|
|
7T2B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t2b by Molmil](/molmil-images/mine/7t2b) | 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
|
|
7T2A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t2a by Molmil](/molmil-images/mine/7t2a) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t2c by Molmil](/molmil-images/mine/7t2c) | 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
|
|
7T2D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t2d by Molmil](/molmil-images/mine/7t2d) | 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
|
|
8TUB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tub by Molmil](/molmil-images/mine/8tub) | HLA B7:02 with HPNGYKSLSTL | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Littler, D.R, Rossjohn, J, Chaurasia, P, Petersen, J. | Deposit date: | 2023-08-16 | Release date: | 2024-03-13 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | CD8 + T-cell responses towards conserved influenza B virus epitopes across anatomical sites and age. Nat Commun, 15, 2024
|
|
8TUH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tuh by Molmil](/molmil-images/mine/8tuh) | HLA B7:02 with RPIIRPATL | Descriptor: | 1,2-ETHANEDIOL, ARG-PRO-ILE-ILE-ARG-PRO-ALA-THR-LEU, Beta-2-microglobulin, ... | Authors: | Littler, D.R, Rossjohn, J, Chaurasia, P, Petersen, J. | Deposit date: | 2023-08-16 | Release date: | 2024-03-13 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.200106 Å) | Cite: | CD8 + T-cell responses towards conserved influenza B virus epitopes across anatomical sites and age. Nat Commun, 15, 2024
|
|
4Y19
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y19 by Molmil](/molmil-images/mine/4y19) | 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
|
|
1F32
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1f32 by Molmil](/molmil-images/mine/1f32) | CRYSTAL STRUCTURE OF ASCARIS PEPSIN INHIBITOR-3 | Descriptor: | MAJOR PEPSIN INHIBITOR PI-3 | Authors: | Ng, K.K, Petersen, J.F, Cherney, M.M, Garen, C, James, M.N. | Deposit date: | 2000-05-31 | Release date: | 2001-02-01 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for the inhibition of porcine pepsin by Ascaris pepsin inhibitor-3. Nat.Struct.Biol., 7, 2000
|
|
1F34
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1f34 by Molmil](/molmil-images/mine/1f34) | CRYSTAL STRUCTURE OF ASCARIS PEPSIN INHIBITOR-3 BOUND TO PORCINE PEPSIN | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, MAJOR PEPSIN INHIBITOR PI-3, PEPSIN A | Authors: | Ng, K.K, Petersen, J.F, Cherney, M.M, Garen, C, James, M.N. | Deposit date: | 2000-05-31 | Release date: | 2001-02-01 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis for the inhibition of porcine pepsin by Ascaris pepsin inhibitor-3. Nat.Struct.Biol., 7, 2000
|
|
3ZDG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zdg by Molmil](/molmil-images/mine/3zdg) | Crystal Structure of Ls-AChBP complexed with carbamoylcholine analogue 3-(dimethylamino)butyl dimethylcarbamate (DMABC) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(dimethylamino)butyl dimethylcarbamate, ACETYLCHOLINE BINDING PROTEIN, ... | Authors: | Ussing, C.A, Hansen, C.P, Petersen, J.G, Jensen, A.A, Rohde, L.A.H, Ahring, P.K, Nielsen, E.O, Kastrup, J.S, Gajhede, M, Frolund, B, Balle, T. | Deposit date: | 2012-11-26 | Release date: | 2013-02-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Synthesis, Pharmacology, and Biostructural Characterization of Novel Alpha(4)Beta(2) Nicotinic Acetylcholine Receptor Agonists. J.Med.Chem., 56, 2013
|
|