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8ZJE
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BU of 8zje by Molmil
Cryo-EM structure of kisspeptin receptor bound to TAK-448
Descriptor: ACY-DTY-HYP-ASN-THR-PHE-XZA-LEU-NMM-TRP-NH2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Shen, S, Liu, H, Xu, H.E.
Deposit date:2024-05-14
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Cryo-EM structure of kisspeptin receptor bound to TAK-448
To Be Published
5LSO
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BU of 5lso by Molmil
Crystal structure of SPF45 UHM domain with cyclic peptide inhibitor
Descriptor: LYS-SER-ARG-TRP-ASP-GLU, Splicing factor 45
Authors:Jagtap, P.K.A, Garg, D, Sattler, M.
Deposit date:2016-09-05
Release date:2016-10-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Rational Design of Cyclic Peptide Inhibitors of U2AF Homology Motif (UHM) Domains To Modulate Pre-mRNA Splicing.
J. Med. Chem., 59, 2016
7JYA
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BU of 7jya by Molmil
Crystal structure of E3 ligase in complex with peptide
Descriptor: ASN-ARG-ARG-ARG-ARG-TRP-ARG-GLU-ARG-GLN-ARG, Protein fem-1 homolog C, UNKNOWN ATOM OR ION
Authors:Yan, X, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Dong, C, Structural Genomics Consortium (SGC)
Deposit date:2020-08-30
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Molecular basis for ubiquitin ligase CRL2 FEM1C -mediated recognition of C-degron.
Nat.Chem.Biol., 17, 2021
6XS7
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BU of 6xs7 by Molmil
Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-D2
Descriptor: 48V-DTY-THR-THR-ILE-TYR-TRP-THR-PRO-LEU-GLY-THR-PHE-PRO-ARG-ILE-ARG, FORMIC ACID, GLYCEROL, ...
Authors:Chen, K.-E, Guo, Q, Collins, B.M.
Deposit date:2020-07-15
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
6Y4Q
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BU of 6y4q by Molmil
Structure of a stapled peptide bound to MDM2
Descriptor: ACE-LEU-THR-PHE-GLY-GLU-TYR-TRP-ALA-GLN-LEU-ALA-SER, E3 ubiquitin-protein ligase Mdm2, ~{N}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{N},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide
Authors:Pantelejevs, T, Bakanovych, I.
Deposit date:2020-02-22
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Diarylethene moiety as an enthalpy-entropy switch: photoisomerizable stapled peptides for modulating p53/MDM2 interaction.
Org.Biomol.Chem., 18, 2020
7F8X
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BU of 7f8x by Molmil
Crystal structure of the cholecystokinin receptor CCKAR in complex with NN9056
Descriptor: ASP-SMF-NLE-GLY-TRP-NLE-OEM-MEA-NH2 (NN9056), Cholecystokinin receptor type A,Endolysin
Authors:Zhang, X, He, C, Wang, M, Zhou, Q, Yang, D, Zhu, Y, Wu, B, Zhao, Q.
Deposit date:2021-07-02
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of the human cholecystokinin receptors bound to agonists and antagonists.
Nat.Chem.Biol., 17, 2021
5HKH
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BU of 5hkh by Molmil
Crystal structure of Ufm1 in complex with UBA5
Descriptor: ASP-ASN-GLU-TRP-GLY-ILE-GLU-LEU-VAL, Ubiquitin-fold modifier 1
Authors:Huber, J, Doetsch, V, Rogov, V.V, Akutsu, M.
Deposit date:2016-01-14
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural and Functional Analysis of a Novel Interaction Motif within UFM1-activating Enzyme 5 (UBA5) Required for Binding to Ubiquitin-like Proteins and Ufmylation.
J.Biol.Chem., 291, 2016
5IZA
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BU of 5iza by Molmil
Protein-protein interaction
Descriptor: ACE-GLY-GLY-GLU-ALA-LEU-ALA-TRP-NH2, Adenomatous polyposis coli protein
Authors:Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J.
Deposit date:2016-03-25
Release date:2017-07-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
5HYJ
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BU of 5hyj by Molmil
1E6 TCR in Complex with HLA-A02 carrying AQWGPDPAAA
Descriptor: ALA-GLN-TRP-GLY-PRO-ASP-PRO-ALA-ALA-ALA, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K.
Deposit date:2016-02-01
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:A "hotspot" for autoimmune T cells in type 1 diabetes.
J.Clin.Invest., 126, 2016
5TDA
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BU of 5tda by Molmil
Crystal structure of the UBR-box domain from UBR2 in complex with RLWS N-degron
Descriptor: ARG-LEU-TRP-SER peptide, E3 ubiquitin-protein ligase UBR2, ZINC ION
Authors:Munoz-Escobar, J, Kozlov, G, Gehring, K.
Deposit date:2016-09-19
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (0.79 Å)
Cite:Bound Waters Mediate Binding of Diverse Substrates to a Ubiquitin Ligase.
Structure, 25, 2017
5EMB
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BU of 5emb by Molmil
Crystal structure of the SNX27 PDZ domain bound to the C-terminal phosphorylated PTHR PDZ binding motif
Descriptor: GLU-GLU-TRP-SEP-THR-VAL-MET, Sorting nexin-27
Authors:Collins, B.M, Clairfeuille, T.
Deposit date:2015-11-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:A molecular code for endosomal recycling of phosphorylated cargos by the SNX27-retromer complex.
Nat.Struct.Mol.Biol., 23, 2016
5F8X
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BU of 5f8x by Molmil
The crystal structure of human plasma kallikrein in complex with its peptide inhibitor pkalin-3
Descriptor: CYS-PRO-ALA-ARG-PHE-M70-ALA-LEU-TRP-CYS, Plasma kallikrein, SULFATE ION, ...
Authors:Xu, M, Jiang, L, Xu, P, Luo, Z, Andreasen, P, Huang, M.
Deposit date:2015-12-09
Release date:2016-12-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The Crystal Structure Of Human Plasma Kallikrein In Complex With Its Peptide Inhibitor Pkalin-3
To Be Published
6QZY
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BU of 6qzy by Molmil
full length OphA V406P in complex with SAH
Descriptor: ASN-GLY-PHE-PRO-TRP-MVA-ILE-MVA-VAL-GLY-PRO-ILE-GLY, MAGNESIUM ION, Peptide N-methyltransferase, ...
Authors:Song, H, Naismith, J.H.
Deposit date:2019-03-12
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase.
Acs Chem.Biol., 15, 2020
6R00
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BU of 6r00 by Molmil
OphA DeltaC6 V404F complex with SAH
Descriptor: PHE-PRO-TRP-MVA-ILE-MVA-PHE-GLY-VAL-ILE-GLY-VAL-ILE-GLY, Peptide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Song, H, Naismith, J.H.
Deposit date:2019-03-12
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase.
Acs Chem.Biol., 15, 2020
6TYU
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BU of 6tyu by Molmil
Structure of Ku80 von Willebrand domain complexed with MRI Ku Binding Motif
Descriptor: LYS-THR-ARG-VAL-LEU-PRO-SER-TRP-LEU-THR-ALA, X-ray repair cross-complementing protein 5
Authors:Min, J, Pedersen, L.C.
Deposit date:2019-08-09
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.46862721 Å)
Cite:Ligand binding characteristics of the Ku80 von Willebrand domain.
DNA Repair (Amst.), 85, 2019
6TSC
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BU of 6tsc by Molmil
OphMA I407P complex with SAH
Descriptor: GLY-PHE-PRO-TRP-MVA-ILE-MVA-VAL-GLY-VAL-PRO-GLY, Peptide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Song, H, Naismith, J.H.
Deposit date:2019-12-20
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase.
Acs Chem.Biol., 15, 2020
6C3T
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BU of 6c3t by Molmil
AMYLOID FORMING PEPTIDE AADTWE FROM TRANSTHYRETIN WITH ATTR-D38A MUTATION ASSOCIATED WITH A FAMILIAL FORM OF TRANSTHYRETIN AMYLOIDOSIS
Descriptor: ALA-ALA-ASP-THR-TRP-GLU
Authors:Sievers, S.A, Sawaya, M.R, Saelices, L, Eisenberg, D.S.
Deposit date:2018-01-10
Release date:2018-04-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1 Å)
Cite:Crystal structures of amyloidogenic segments of human transthyretin.
Protein Sci., 27, 2018
7VQH
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BU of 7vqh by Molmil
Solution NMR structure of Escherichia coli Total Lipid Extract Bicelle bound VR18 Antimicrobial Peptide
Descriptor: VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY-LYS-ASN-LYS-SER-ARG (VR18)
Authors:Mohid, S.A, Bhunia, A.
Deposit date:2021-10-20
Release date:2022-01-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A rationally designed synthetic antimicrobial peptide against Pseudomonas-associated corneal keratitis: Structure-function correlation.
Biophys.Chem., 286, 2022
8EBK
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BU of 8ebk by Molmil
Crystal Structure Analysis of xHDMX in complex with the stapled peptide PROTAC analog
Descriptor: ACE-LEU-THR-PHE-0EH-GLU-TYR-TRP-ALA-GLN-LEU-MK8-SER-ALA-ALA, HDMX
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2022-08-31
Release date:2023-10-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Crystal Structure Analysis of xHDMX in complex with the stapled peptide PROTAC analog
To Be Published
7T3H
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BU of 7t3h by Molmil
MicroED structure of Dynobactin
Descriptor: TRP-ASN-SER-ASN-VAL-HIS-SER-TYR-ARG-PHE
Authors:Yoo, B.-K, Kaiser, J.T, Rees, D.C, Miller, R.D, Iinishi, A, Lewis, K, Bowman, S.
Deposit date:2021-12-07
Release date:2022-10-19
Method:ELECTRON CRYSTALLOGRAPHY (1.05 Å)
Cite:Computational identification of a systemic antibiotic for gram-negative bacteria.
Nat Microbiol, 7, 2022
7VQI
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BU of 7vqi by Molmil
Solution NMR structure of Pseudomonas aeruginosa Lipopolysaccharide (LPS) Bicelle bound VR18 Antimicrobial Peptide
Descriptor: VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY-LYS-ASN-LYS-SER-ARG (VR18)
Authors:Mohid, S.A, Bhunia, A.
Deposit date:2021-10-20
Release date:2022-01-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A rationally designed synthetic antimicrobial peptide against Pseudomonas-associated corneal keratitis: Structure-function correlation.
Biophys.Chem., 286, 2022
1TP5
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BU of 1tp5 by Molmil
Crystal structure of PDZ3 domain of PSD-95 protein complexed with a peptide ligand KKETWV
Descriptor: LYS-LYS-GLU-THR-TRP-VAL peptide ligand, Presynaptic density protein 95
Authors:Saro, D, Wawrzak, Z, Martin, P, Vickrey, J, Paredes, A, Kovari, L, Spaller, M.
Deposit date:2004-06-15
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structure of the third PDZ domain of PSD-95 protein complexed with KKETWV peptide ligand
To be Published
1U85
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BU of 1u85 by Molmil
ARG326-TRP mutant of the third zinc finger of BKLF
Descriptor: Kruppel-like factor 3, ZINC ION
Authors:Cram, E.D, Mackay, J.P, Matthews, J.M.
Deposit date:2004-08-05
Release date:2005-08-23
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structures of tryptophan-containing CCHH zinc finger mutants
To be Published
8GJS
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BU of 8gjs by Molmil
Stapled Peptide ALRN-6924 Bound to MDMX
Descriptor: ACE-LEU-THR-PHE-ALA-GLU-TYR-TRP-ALA-GLN-LEU-DAL-ALA-ALA-ALA-ALA-ALA-DAL, Protein Mdm4
Authors:Graves, B.J, Janson, C, Lukacs, C.
Deposit date:2023-03-16
Release date:2023-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Sulanemadlin (ALRN-6924), the First Cell-Permeating, Stabilized alpha-Helical Peptide in Clinical Development.
J.Med.Chem., 66, 2023
7YG3
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BU of 7yg3 by Molmil
Crystal structure of HLA-B*13:01
Descriptor: ARG-GLN-ASP-ILE-LEU-ASP-LEU-TRP-ILE, Beta-2-microglobulin, MHC class I antigen
Authors:Wang, H.S, Ouyang, S.Y.
Deposit date:2022-07-11
Release date:2023-07-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Functional and structural characteristics of HLA-B*13:01-mediated specific T cells reaction in dapsone-induced drug hypersensitivity.
J.Biomed.Sci., 29, 2022

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