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5YPU
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BU of 5ypu by Molmil
Crystal structure of an actin monomer in complex with the nucleator Cordon-Bleu MET72NLE WH2-motif peptide
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Scipion, C.P.M, Wongsantichon, J, Ferrer, F.J, Yuen, T.Y, Robinson, R.C.
Deposit date:2017-11-03
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural evidence for the roles of divalent cations in actin polymerization and activation of ATP hydrolysis
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7ROV
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BU of 7rov by Molmil
KRAS G12D Mutant in complex with GMPPCP and cyclic peptide MP-9903
Descriptor: Cyclic peptide MP-9903, GLYCEROL, Isoform 2B of GTPase KRas, ...
Authors:Orth, P.
Deposit date:2021-08-02
Release date:2021-09-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Discovery of cell active macrocyclic peptides with on-target inhibition of KRAS signaling.
Chem Sci, 12, 2021
4UD7
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BU of 4ud7 by Molmil
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
4UE1
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BU of 4ue1 by Molmil
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
6AAW
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BU of 6aaw by Molmil
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
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
Descriptor: 2JN-DAL-E03-DTY-2JN-DSG-TDF-DGL-MK8-DLE-DLE-2JN, E3 ubiquitin-protein ligase Mdm2
Authors:Jiang, S, Brown, C.J.
Deposit date:2019-09-25
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Macrocyclization of an all-d linear alpha-helical peptide imparts cellular permeability.
Chem Sci, 11, 2020

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