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6KZU
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BU of 6kzu by Molmil
Macrocyclization of an all-D linear peptide improves target affinity and imparts cellular activity: A novel stapled alpha-helical peptide modality
分子名称: 2JN-DAL-E03-DTY-2JN-DSG-TDF-DGL-MK8-DLE-DLE-2JN, E3 ubiquitin-protein ligase Mdm2
著者Jiang, S, Brown, C.J.
登録日2019-09-25
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Macrocyclization of an all-d linear alpha-helical peptide imparts cellular permeability.
Chem Sci, 11, 2020
4UE1
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BU of 4ue1 by Molmil
Structure of the stapled peptide YS-01 bound to MDM2
分子名称: E3 UBIQUITIN-PROTEIN LIGASE MDM2, YS-01
著者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.
登録日2014-12-14
公開日2016-01-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design.
J Phys Chem Lett, 7, 2016
4UD7
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BU of 4ud7 by Molmil
Structure of the stapled peptide YS-02 bound to MDM2
分子名称: MDM2, YS-02
著者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.
登録日2014-12-08
公開日2016-01-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design.
J Phys Chem Lett, 7, 2016
5XWR
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BU of 5xwr by Molmil
Crystal Structure of RBBP4-peptide complex
分子名称: Histone-binding protein RBBP4, MET-SER-ARG-ARG-LYS-GLN-ALA-LYS-PRO-GLN-HIS-ILE
著者Jobichen, C, Lui, B.H, Daniel, G.T, Sivaraman, J.
登録日2017-06-30
公開日2018-07-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Targeting cancer addiction for SALL4 by shifting its transcriptome with a pharmacologic peptide.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6GK0
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BU of 6gk0 by Molmil
HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH CLASS III HISTONE DEACETYLASE INHIBITOR
分子名称: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 4-~{tert}-butyl-~{N}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide, ACETIC ACID, ...
著者Hakansson, M, Ladds, M.J.G.W, Walse, B, Lain, S.
登録日2018-05-17
公開日2019-11-27
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Exploitation of dihydroorotate dehydrogenase (DHODH) and p53 activation as therapeutic targets: A case study in polypharmacology.
J.Biol.Chem., 295, 2020
7BWE
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BU of 7bwe by Molmil
Consensus Chitin binding domain
分子名称: Chitin binding beak protein 3
著者Mohanram, H, Miserez, A.
登録日2020-04-14
公開日2021-04-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of a consensus chitin-binding domain revealed by solution NMR.
J.Struct.Biol., 213, 2021
7XTP
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BU of 7xtp by Molmil
eIF4E in Complex with a Disulphide-Free Autonomous VH Domain
分子名称: 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
著者Brown, C.J, Frosi, Y, Jiang, S, Lin, Y.C.
登録日2022-05-17
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.828 Å)
主引用文献Engineering an autonomous VH domain to modulate intracellular pathways and to interrogate the eIF4F complex.
Nat Commun, 13, 2022
5GW6
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BU of 5gw6 by Molmil
Water-Bridge Mediates Recognition of mRNA Cap in eIF4E
分子名称: Eukaryotic translation initiation factor 4E, GLYCEROL
著者Brown, C.J.
登録日2016-09-08
公開日2016-10-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Water-Bridge Mediates Recognition of mRNA Cap in eIF4E
Structure, 25, 2017
5YHN
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BU of 5yhn by Molmil
Solution structure of the LEKTI Domain 4
分子名称: cDNA FLJ60407, highly similar to Serine protease inhibitor Kazal-type 5
著者Mok, Y.K, Ramesh, K.
登録日2017-09-29
公開日2018-08-08
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Homologous Lympho-Epithelial Kazal-type Inhibitor Domains Delay Blood Coagulation by Inhibiting Factor X and XI with Differential Specificity.
Structure, 26, 2018
6AAW
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BU of 6aaw by Molmil
Mdm2 in complex with a D amino Acid Containing Stapled Peptide
分子名称: ACE-LEU-THR-PHE-STQ-GLU-TYR-DTR-GLN-LEU-CBA-MK8-SER-ALA-ALA, E3 ubiquitin-protein ligase Mdm2
著者Brown, C.J, Partridge, A.W.
登録日2018-07-19
公開日2019-07-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
6IDK
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BU of 6idk by Molmil
Cryo-EM structure of Immature Dengue virus serotype 3 in complex with human antibody 1H10 Fab at pH 5.0 (Class I particle)
分子名称: Envelope protein, Fab 1H10 heavy chain (V-region), Fab 1H10 light chain (V-region), ...
著者Wirawan, M, Fibriansah, G, Ng, T.S, Zhang, Q, Kostyuchenko, V.A, Shi, J, Lok, S.M.
登録日2018-09-10
公開日2018-12-12
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (25 Å)
主引用文献Mechanism of Enhanced Immature Dengue Virus Attachment to Endosomal Membrane Induced by prM Antibody.
Structure, 27, 2019
7BWO
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BU of 7bwo by Molmil
Consensus chitin binding protein
分子名称: Chitin binding beak protein 3
著者Mohanram, H, Miserez, A.
登録日2020-04-15
公開日2021-04-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of a consensus chitin-binding domain revealed by solution NMR.
J.Struct.Biol., 213, 2021
6IDI
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BU of 6idi by Molmil
Cryo-EM structure of Immature Dengue virus serotype 3 in complex with human antibody 1H10 Fab at pH 8.0.
分子名称: Envelope protein, Fab 1H10 heavy chain (V-region), Fab 1H10 light chain (V-region), ...
著者Wirawan, M, Fibriansah, G, Ng, T.S, Zhang, Q, Kostyuchenko, V.A, Shi, J, Lok, S.M.
登録日2018-09-10
公開日2018-12-12
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (12 Å)
主引用文献Mechanism of Enhanced Immature Dengue Virus Attachment to Endosomal Membrane Induced by prM Antibody.
Structure, 27, 2019
6IDL
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BU of 6idl by Molmil
Cryo-EM structure of Immature Dengue virus serotype 3 in complex with human antibody 1H10 Fab at pH 5.0 (Class II particle)
分子名称: Envelope protein, Fab 1H10 heavy chain (V-region), Fab 1H10 light chain (V-region), ...
著者Wirawan, M, Fibriansah, G, Ng, T.S, Zhang, Q, Kostyuchenko, V.A, Shi, J, Lok, S.M.
登録日2018-09-10
公開日2018-12-12
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (25 Å)
主引用文献Mechanism of Enhanced Immature Dengue Virus Attachment to Endosomal Membrane Induced by prM Antibody.
Structure, 27, 2019
7D8B
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BU of 7d8b by Molmil
Engineering Disulphide-Free Autonomous Antibody VH Domains to modulate intracellular pathways
分子名称: Eukaryotic translation initiation factor 4E, VH-S4
著者Frosi, Y, Lin, Y.C, Jiang, S, Brown, C.J.
登録日2020-10-07
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Engineering an autonomous VH domain to modulate intracellular pathways and to interrogate the eIF4F complex.
Nat Commun, 13, 2022
7F07
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BU of 7f07 by Molmil
Autonomous VH domain that interacts with eIF4E at the Capped mRNA Binding site.
分子名称: Eukaryotic translation initiation factor 4E, VH domain (VH-DiFCAP-01)
著者Brown, C.J, Frosi, Y, Ng, S, Lin, Y.C.
登録日2021-06-03
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献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
7EZW
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BU of 7ezw by Molmil
Cyclic Peptide that Interacts with the eIF4E Capped-mRNA Binding Site
分子名称: ALA-CYS-GLU-MET-GLY-PHE-PHE-GLN-ASP-CYS-GLY, Eukaryotic translation initiation factor 4E, SODIUM ION
著者Brown, C.J, Ng, S, Frosi, Y.
登録日2021-06-02
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献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
6Q38
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BU of 6q38 by Molmil
The Crystal structure of CK2a bound to P1-C4
分子名称: 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid, BENZOIC ACID, Casein kinase II subunit alpha, ...
著者Brear, P, Iegre, J, Baker, D, Tan, Y, Sore, H, Donovan, D, Spring, D, Chandra, V, Hyvonen, M.
登録日2018-12-03
公開日2019-04-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction.
Chem Sci, 10, 2019
6Q4Q
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BU of 6q4q by Molmil
The Crystal structure of CK2a bound to P2-C4
分子名称: 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid, ACETATE ION, BENZOIC ACID, ...
著者Brear, P, Iegre, J, Baker, D, Tan, Y, Sore, H, Donovan, D, Spring, D, Chandra, V, Hyvonen, M.
登録日2018-12-06
公開日2019-04-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction.
Chem Sci, 10, 2019
1SZO
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BU of 1szo by Molmil
Crystal Structure Analysis of the 6-Oxo Camphor Hydrolase His122Ala Mutant Bound to Its Natural Product (2S,4S)-alpha-Campholinic Acid
分子名称: (2S,4S)-4-(2,2-DIHYDROXYETHYL)-2,3,3-TRIMETHYLCYCLOPENTANONE, 6-oxocamphor hydrolase, CALCIUM ION
著者Leonard, P.M, Grogan, G.
登録日2004-04-06
公開日2004-06-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
1C7F
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BU of 1c7f by Molmil
D95E OXIDIZED FLAVODOXIN MUTANT FROM D. VULGARIS
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
著者McCarthy, A, Walsh, M, Higgins, T, D'Arcy, D.
登録日2000-02-11
公開日2000-08-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic Investigation of the Role of Aspartate 95 in the Modulation of the Redox Potentials Of Desulfovibrio Vulgaris Flavodoxin
Biochemistry, 41, 2002
1C7E
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BU of 1c7e by Molmil
D95E HYDROQUINONE FLAVODOXIN MUTANT FROM D. VULGARIS
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
著者McCarthy, A, Walsh, M, Higgins, T, D'Arcy, D.
登録日2000-02-16
公開日2000-08-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystallographic Investigation of the Role of Aspartate 95 in the Modulation of the Redox Potentials Of Desulfovibrio Vulgaris Flavodoxin
Biochemistry, 41, 2002
1AKU
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BU of 1aku by Molmil
D95A HYDROQUINONE FLAVODOXIN MUTANT FROM D. VULGARIS
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN, SULFATE ION
著者Mccarthy, A, Walsh, M, Higgins, T.
登録日1997-05-27
公開日1998-12-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic investigation of the role of aspartate 95 in the modulation of the redox potentials of Desulfovibrio vulgaris flavodoxin.
Biochemistry, 41, 2002
1AKQ
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BU of 1akq by Molmil
D95A OXIDIZED FLAVODOXIN MUTANT FROM D. VULGARIS
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
著者Mccarthy, A, Walsh, M, Higgins, T.
登録日1997-03-27
公開日1998-12-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic investigation of the role of aspartate 95 in the modulation of the redox potentials of Desulfovibrio vulgaris flavodoxin.
Biochemistry, 41, 2002
1AKV
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BU of 1akv by Molmil
D95A SEMIQUINONE FLAVODOXIN MUTANT FROM D. VULGARIS
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN, SULFATE ION
著者Mccarthy, A, Walsh, M, Higgins, T.
登録日1997-05-27
公開日1998-12-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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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