6Q38
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![BU of 6q38 by Molmil](/molmil-images/mine/6q38) | The Crystal structure of CK2a bound to P1-C4 | Descriptor: | 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid, BENZOIC ACID, Casein kinase II subunit alpha, ... | Authors: | Brear, P, Iegre, J, Baker, D, Tan, Y, Sore, H, Donovan, D, Spring, D, Chandra, V, Hyvonen, M. | Deposit date: | 2018-12-03 | Release date: | 2019-04-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction. Chem Sci, 10, 2019
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6Q4Q
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![BU of 6q4q by Molmil](/molmil-images/mine/6q4q) | The Crystal structure of CK2a bound to P2-C4 | Descriptor: | 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid, ACETATE ION, BENZOIC ACID, ... | Authors: | Brear, P, Iegre, J, Baker, D, Tan, Y, Sore, H, Donovan, D, Spring, D, Chandra, V, Hyvonen, M. | Deposit date: | 2018-12-06 | Release date: | 2019-04-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction. Chem Sci, 10, 2019
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4UD7
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![BU of 4ud7 by Molmil](/molmil-images/mine/4ud7) | Structure of the stapled peptide YS-02 bound to MDM2 | Descriptor: | MDM2, YS-02 | Authors: | Tan, Y.S, Reeks, J, Brown, C.J, Jennings, C.E, Eapen, R.S, Tng, Q.S, Thean, D, Ying, Y.T, Gago, F.J.F, Lane, D.P, Noble, M.E.M, Verma, C. | Deposit date: | 2014-12-08 | Release date: | 2016-01-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design. J Phys Chem Lett, 7, 2016
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4UE1
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![BU of 4ue1 by Molmil](/molmil-images/mine/4ue1) | Structure of the stapled peptide YS-01 bound to MDM2 | Descriptor: | E3 UBIQUITIN-PROTEIN LIGASE MDM2, YS-01 | Authors: | Tan, Y.S, Reeks, J, Brown, C.J, Jennings, C.E, Eapen, R.S, Tng, Q.S, Thean, D, Ying, Y.T, Gago, F.J.F, Lane, D.P, Noble, M.E.M, Verma, C. | Deposit date: | 2014-12-14 | Release date: | 2016-01-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design. J Phys Chem Lett, 7, 2016
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5YHN
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![BU of 5yhn by Molmil](/molmil-images/mine/5yhn) | Solution structure of the LEKTI Domain 4 | Descriptor: | cDNA FLJ60407, highly similar to Serine protease inhibitor Kazal-type 5 | Authors: | Mok, Y.K, Ramesh, K. | Deposit date: | 2017-09-29 | Release date: | 2018-08-08 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Homologous Lympho-Epithelial Kazal-type Inhibitor Domains Delay Blood Coagulation by Inhibiting Factor X and XI with Differential Specificity. Structure, 26, 2018
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7XTP
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![BU of 7xtp by Molmil](/molmil-images/mine/7xtp) | eIF4E in Complex with a Disulphide-Free Autonomous VH Domain | Descriptor: | Eukaryotic translation initiation factor 4E, VH-S4ss, [[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] PHOSPHONO HYDROGEN PHOSPHATE | Authors: | Brown, C.J, Frosi, Y, Jiang, S, Lin, Y.C. | Deposit date: | 2022-05-17 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.828 Å) | Cite: | Engineering an autonomous VH domain to modulate intracellular pathways and to interrogate the eIF4F complex. Nat Commun, 13, 2022
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6IDI
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![BU of 6idi by Molmil](/molmil-images/mine/6idi) | Cryo-EM structure of Immature Dengue virus serotype 3 in complex with human antibody 1H10 Fab at pH 8.0. | Descriptor: | Envelope protein, Fab 1H10 heavy chain (V-region), Fab 1H10 light chain (V-region), ... | Authors: | Wirawan, M, Fibriansah, G, Ng, T.S, Zhang, Q, Kostyuchenko, V.A, Shi, J, Lok, S.M. | Deposit date: | 2018-09-10 | Release date: | 2018-12-12 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (12 Å) | Cite: | Mechanism of Enhanced Immature Dengue Virus Attachment to Endosomal Membrane Induced by prM Antibody. Structure, 27, 2019
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6IDK
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![BU of 6idk by Molmil](/molmil-images/mine/6idk) | Cryo-EM structure of Immature Dengue virus serotype 3 in complex with human antibody 1H10 Fab at pH 5.0 (Class I particle) | Descriptor: | Envelope protein, Fab 1H10 heavy chain (V-region), Fab 1H10 light chain (V-region), ... | Authors: | Wirawan, M, Fibriansah, G, Ng, T.S, Zhang, Q, Kostyuchenko, V.A, Shi, J, Lok, S.M. | Deposit date: | 2018-09-10 | Release date: | 2018-12-12 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (25 Å) | Cite: | Mechanism of Enhanced Immature Dengue Virus Attachment to Endosomal Membrane Induced by prM Antibody. Structure, 27, 2019
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6IDL
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![BU of 6idl by Molmil](/molmil-images/mine/6idl) | Cryo-EM structure of Immature Dengue virus serotype 3 in complex with human antibody 1H10 Fab at pH 5.0 (Class II particle) | Descriptor: | Envelope protein, Fab 1H10 heavy chain (V-region), Fab 1H10 light chain (V-region), ... | Authors: | Wirawan, M, Fibriansah, G, Ng, T.S, Zhang, Q, Kostyuchenko, V.A, Shi, J, Lok, S.M. | Deposit date: | 2018-09-10 | Release date: | 2018-12-12 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (25 Å) | Cite: | Mechanism of Enhanced Immature Dengue Virus Attachment to Endosomal Membrane Induced by prM Antibody. Structure, 27, 2019
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6GK0
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![BU of 6gk0 by Molmil](/molmil-images/mine/6gk0) | HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH CLASS III HISTONE DEACETYLASE INHIBITOR | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 4-~{tert}-butyl-~{N}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide, ACETIC ACID, ... | Authors: | Hakansson, M, Ladds, M.J.G.W, Walse, B, Lain, S. | Deposit date: | 2018-05-17 | Release date: | 2019-11-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Exploitation of dihydroorotate dehydrogenase (DHODH) and p53 activation as therapeutic targets: A case study in polypharmacology. J.Biol.Chem., 295, 2020
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7BWO
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![BU of 7bwo by Molmil](/molmil-images/mine/7bwo) | Consensus chitin binding protein | Descriptor: | Chitin binding beak protein 3 | Authors: | Mohanram, H, Miserez, A. | Deposit date: | 2020-04-15 | Release date: | 2021-04-14 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of a consensus chitin-binding domain revealed by solution NMR. J.Struct.Biol., 213, 2021
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7BWE
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![BU of 7bwe by Molmil](/molmil-images/mine/7bwe) | Consensus Chitin binding domain | Descriptor: | Chitin binding beak protein 3 | Authors: | Mohanram, H, Miserez, A. | Deposit date: | 2020-04-14 | Release date: | 2021-04-14 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of a consensus chitin-binding domain revealed by solution NMR. J.Struct.Biol., 213, 2021
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6AAW
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![BU of 6aaw by Molmil](/molmil-images/mine/6aaw) | Mdm2 in complex with a D amino Acid Containing Stapled Peptide | Descriptor: | ACE-LEU-THR-PHE-STQ-GLU-TYR-DTR-GLN-LEU-CBA-MK8-SER-ALA-ALA, E3 ubiquitin-protein ligase Mdm2 | Authors: | Brown, C.J, Partridge, A.W. | Deposit date: | 2018-07-19 | Release date: | 2019-07-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Model System to Explore Macrocyclic Peptide Structural and Chirality Relationships: Tolerance of helix-breaking residues within the context of a stapled peptide. To Be Published
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7D8B
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![BU of 7d8b by Molmil](/molmil-images/mine/7d8b) | Engineering Disulphide-Free Autonomous Antibody VH Domains to modulate intracellular pathways | Descriptor: | Eukaryotic translation initiation factor 4E, VH-S4 | Authors: | Frosi, Y, Lin, Y.C, Jiang, S, Brown, C.J. | Deposit date: | 2020-10-07 | Release date: | 2021-08-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Engineering an autonomous VH domain to modulate intracellular pathways and to interrogate the eIF4F complex. Nat Commun, 13, 2022
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7EZW
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![BU of 7ezw by Molmil](/molmil-images/mine/7ezw) | Cyclic Peptide that Interacts with the eIF4E Capped-mRNA Binding Site | Descriptor: | ALA-CYS-GLU-MET-GLY-PHE-PHE-GLN-ASP-CYS-GLY, Eukaryotic translation initiation factor 4E, SODIUM ION | Authors: | Brown, C.J, Ng, S, Frosi, Y. | Deposit date: | 2021-06-02 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Development of a novel peptide aptamer that interacts with the eIF4E capped-mRNA binding site using peptide epitope linker evolution (PELE). Rsc Chem Biol, 3, 2022
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7F07
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![BU of 7f07 by Molmil](/molmil-images/mine/7f07) | Autonomous VH domain that interacts with eIF4E at the Capped mRNA Binding site. | Descriptor: | Eukaryotic translation initiation factor 4E, VH domain (VH-DiFCAP-01) | Authors: | Brown, C.J, Frosi, Y, Ng, S, Lin, Y.C. | Deposit date: | 2021-06-03 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Development of a novel peptide aptamer that interacts with the eIF4E capped-mRNA binding site using peptide epitope linker evolution (PELE). Rsc Chem Biol, 3, 2022
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1AKU
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![BU of 1aku by Molmil](/molmil-images/mine/1aku) | D95A HYDROQUINONE FLAVODOXIN MUTANT FROM D. VULGARIS | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN, SULFATE ION | Authors: | Mccarthy, A, Walsh, M, Higgins, T. | Deposit date: | 1997-05-27 | Release date: | 1998-12-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic investigation of the role of aspartate 95 in the modulation of the redox potentials of Desulfovibrio vulgaris flavodoxin. Biochemistry, 41, 2002
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1AKQ
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![BU of 1akq by Molmil](/molmil-images/mine/1akq) | D95A OXIDIZED FLAVODOXIN MUTANT FROM D. VULGARIS | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | Authors: | Mccarthy, A, Walsh, M, Higgins, T. | Deposit date: | 1997-03-27 | Release date: | 1998-12-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic investigation of the role of aspartate 95 in the modulation of the redox potentials of Desulfovibrio vulgaris flavodoxin. Biochemistry, 41, 2002
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1AKV
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![BU of 1akv by Molmil](/molmil-images/mine/1akv) | D95A SEMIQUINONE FLAVODOXIN MUTANT FROM D. VULGARIS | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN, SULFATE ION | Authors: | Mccarthy, A, Walsh, M, Higgins, T. | Deposit date: | 1997-05-27 | Release date: | 1998-12-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic investigation of the role of aspartate 95 in the modulation of the redox potentials of Desulfovibrio vulgaris flavodoxin. Biochemistry, 41, 2002
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6LEK
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![BU of 6lek by Molmil](/molmil-images/mine/6lek) | Tertiary structure of Barnacle cement protein MrCP20 | Descriptor: | Cement protein-20k | Authors: | Mohanram, H. | Deposit date: | 2019-11-25 | Release date: | 2020-01-15 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Three-dimensional structure of Megabalanus rosa Cement Protein 20 revealed by multi-dimensional NMR and molecular dynamics simulations. Philos.Trans.R.Soc.Lond.B Biol.Sci., 374, 2019
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6KZU
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![BU of 6kzu by Molmil](/molmil-images/mine/6kzu) | |
5GW6
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![BU of 5gw6 by Molmil](/molmil-images/mine/5gw6) | |
1SZO
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![BU of 1szo by Molmil](/molmil-images/mine/1szo) | Crystal Structure Analysis of the 6-Oxo Camphor Hydrolase His122Ala Mutant Bound to Its Natural Product (2S,4S)-alpha-Campholinic Acid | Descriptor: | (2S,4S)-4-(2,2-DIHYDROXYETHYL)-2,3,3-TRIMETHYLCYCLOPENTANONE, 6-oxocamphor hydrolase, CALCIUM ION | Authors: | Leonard, P.M, Grogan, G. | Deposit date: | 2004-04-06 | Release date: | 2004-06-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of 6-oxo camphor hydrolase H122A mutant bound to its natural product, (2S,4S)-alpha-campholinic acid: mutant structure suggests an atypical mode of transition state binding for a crotonase homolog. J.Biol.Chem., 279, 2004
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1C7E
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![BU of 1c7e by Molmil](/molmil-images/mine/1c7e) | D95E HYDROQUINONE FLAVODOXIN MUTANT FROM D. VULGARIS | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | Authors: | McCarthy, A, Walsh, M, Higgins, T, D'Arcy, D. | Deposit date: | 2000-02-16 | Release date: | 2000-08-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystallographic Investigation of the Role of Aspartate 95 in the Modulation of the Redox Potentials Of Desulfovibrio Vulgaris Flavodoxin Biochemistry, 41, 2002
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1DT3
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![BU of 1dt3 by Molmil](/molmil-images/mine/1dt3) | |