8S8A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8s8a by Molmil](/molmil-images/mine/8s8a) | Human pyridoxal phosphatase in complex with 7,8-dihydroxyflavone without phosphate | Descriptor: | 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, CHLORIDE ION, Chronophin, ... | Authors: | Brenner, M, Gohla, A, Schindelin, H. | Deposit date: | 2024-03-06 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase. Elife, 13, 2024
|
|
6XZV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xzv by Molmil](/molmil-images/mine/6xzv) | Structure of zVDR LBD-Calcitriol in complex with chimera 18 | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, URA-UIA-URL-URY-URV-UZN-LYS, Vitamin D3 receptor A | Authors: | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | Deposit date: | 2020-02-05 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers. Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
8OMI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8omi by Molmil](/molmil-images/mine/8omi) | Crystal structure of the inositol hexakisphosphate kinase EhIP6KA M85 variant in complex with ATP and Mg2+ | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Schuetz, A, Aguirre, T, Fiedler, D. | Deposit date: | 2023-03-31 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | An unconventional gatekeeper mutation sensitizes inositol hexakisphosphate kinases to an allosteric inhibitor. Elife, 12, 2023
|
|
8QFW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qfw by Molmil](/molmil-images/mine/8qfw) | Murine pyridoxal phosphatase in complex with 7,8-dihydroxyflavone | Descriptor: | 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, CITRIC ACID, Chronophin, ... | Authors: | Schindelin, H, Gohla, A. | Deposit date: | 2023-09-05 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase. Elife, 13, 2024
|
|
6FGC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fgc by Molmil](/molmil-images/mine/6fgc) | Crystal structure of Gephyrin E domain in complex with Artesunate | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | Authors: | Kasaragod, V.B, Schindelin, H. | Deposit date: | 2018-01-10 | Release date: | 2019-01-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Elucidating the Molecular Basis for Inhibitory Neurotransmission Regulation by Artemisinins. Neuron, 101, 2019
|
|
6FGD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fgd by Molmil](/molmil-images/mine/6fgd) | |
4TK4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tk4 by Molmil](/molmil-images/mine/4tk4) | |
4TK2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tk2 by Molmil](/molmil-images/mine/4tk2) | |
4TK1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tk1 by Molmil](/molmil-images/mine/4tk1) | Geph E in complex with a GABA receptor alpha3 subunit derived peptide in space group P21212 | Descriptor: | BETA-MERCAPTOETHANOL, GLYCEROL, Gamma-aminobutyric acid receptor subunit alpha-3, ... | Authors: | Kasaragod, V.B, Maric, H.M, Schindelin, H. | Deposit date: | 2014-05-25 | Release date: | 2014-12-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular basis of the alternative recruitment of GABAA versus glycine receptors through gephyrin. Nat Commun, 5, 2014
|
|
4TK3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tk3 by Molmil](/molmil-images/mine/4tk3) | |
5ISN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5isn by Molmil](/molmil-images/mine/5isn) | NMR solution structure of macro domain from Venezuelan equine encephalitis virus | Descriptor: | Non-structural polyprotein | Authors: | Makrynitsa, G.I, Ntonti, D, Marousis, K.D, Tsika, A.C, Papageorgiou, N, Coutard, B, Bentrop, D, Spyroulias, G.A. | Deposit date: | 2016-03-15 | Release date: | 2017-11-29 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Conformational plasticity of the VEEV macro domain is important for binding of ADP-ribose. J.Struct.Biol., 206, 2019
|
|
4U90
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4u90 by Molmil](/molmil-images/mine/4u90) | GephE in complex with PEG crosslinked GABA receptor alpha3 subunit derived dimeric peptide | Descriptor: | 1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1H-pyrrole-2,5-dione), 1,4-BUTANEDIOL, Gamma-aminobutyric acid receptor subunit alpha-3, ... | Authors: | Kasaragod, V.B, Maric, H.M, Schindelin, H. | Deposit date: | 2014-08-05 | Release date: | 2014-12-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of High-Affinity Dimeric Inhibitors Targeting the Interactions between Gephyrin and Inhibitory Neurotransmitter Receptors. Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
4U91
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4u91 by Molmil](/molmil-images/mine/4u91) | GephE in complex with Para-Phenyl crosslinked Glycine receptor beta subunit derived dimeric peptide | Descriptor: | 1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione), 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Kasaragod, V.B, Maric, H.M, Schindelin, H. | Deposit date: | 2014-08-05 | Release date: | 2014-12-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of High-Affinity Dimeric Inhibitors Targeting the Interactions between Gephyrin and Inhibitory Neurotransmitter Receptors. Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
6HFA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hfa by Molmil](/molmil-images/mine/6hfa) | Crystal structure of hDM2 in complex with a C-terminal triurea capped peptide chimera foldamer. | Descriptor: | E3 ubiquitin-protein ligase Mdm2, LM266, 1-[(2~{S})-2-azanyl-3-methyl-butyl]urea | Authors: | Buratto, J, Mauran, L, Goudreau, S, Fribourg, S, Guichard, G. | Deposit date: | 2018-08-21 | Release date: | 2020-07-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers. Angew.Chem.Int.Ed.Engl., 2020
|
|
6HBY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hby by Molmil](/molmil-images/mine/6hby) | HLA class II peptide flanking residues tune the immunogenicity of a human tumor-derived epitope | Descriptor: | 1,2-ETHANEDIOL, ARRPPLAELAALNLSGSRL 5T4 tumour epitope, HLA class II histocompatibility antigen, ... | Authors: | MacLachlan, B, Rizkallah, P.J, Sewell, A.K, Cole, D.K, Godkin, A.J. | Deposit date: | 2018-08-13 | Release date: | 2019-08-14 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Human leukocyte antigen (HLA) class II peptide flanking residues tune the immunogenicity of a human tumor-derived epitope. J.Biol.Chem., 294, 2019
|
|
6XZJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xzj by Molmil](/molmil-images/mine/6xzj) | Structure of zVDR LBD-Calcitriol in complex with chimera 12 | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, ACETATE ION, ARG-HIS-LYS-ILE-LEU-URR-UIL-URL-GLN, ... | Authors: | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | Deposit date: | 2020-02-04 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers. Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
6XZH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xzh by Molmil](/molmil-images/mine/6xzh) | Structure of zVDR LBD-Calcitriol in complex with chimera 10 | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, ARG-HIS-LYS-ILE-URL-URK-URL-LEU-GLN, Vitamin D3 receptor A | Authors: | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | Deposit date: | 2020-02-04 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.372 Å) | Cite: | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers. Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
6XZI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xzi by Molmil](/molmil-images/mine/6xzi) | Structure of zVDR LBD-calcitriol in complex with chimera 11 | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, ACETATE ION, ARG-HIS-LYS-ILE-LEU-URK-UIL-URL, ... | Authors: | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | Deposit date: | 2020-02-04 | Release date: | 2021-02-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers. Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
6XZK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xzk by Molmil](/molmil-images/mine/6xzk) | Structure of zVDR LBD-Calcitriol in complex with chimera 13 | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, ACETATE ION, GLU-ASN-ALA-UIA-URL-URY-URV-UZN-LYS, ... | Authors: | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | Deposit date: | 2020-02-04 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers. Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
2NY8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ny8 by Molmil](/molmil-images/mine/2ny8) | |
2E3F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2e3f by Molmil](/molmil-images/mine/2e3f) | |
2E3E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2e3e by Molmil](/molmil-images/mine/2e3e) | |
2E3G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2e3g by Molmil](/molmil-images/mine/2e3g) | |
2NZ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nz3 by Molmil](/molmil-images/mine/2nz3) | |
2NY9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ny9 by Molmil](/molmil-images/mine/2ny9) | |