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6UF8
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BU of 6uf8 by Molmil
S2 symmetric peptide design number 6, London Bridge
Descriptor: S2-6, London Bridge
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-23
Release date:2020-12-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (0.8 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
8E98
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BU of 8e98 by Molmil
D-cycloserine and glutamate bound Human GluN1a-GluN2C NMDA receptor in nanodisc - intact conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, NMDA 1, ...
Authors:Chou, T.-H, Furukawa, H.
Deposit date:2022-08-26
Release date:2022-12-07
Last modified:2022-12-14
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Structural insights into assembly and function of GluN1-2C, GluN1-2A-2C, and GluN1-2D NMDARs.
Mol.Cell, 82, 2022
8E93
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BU of 8e93 by Molmil
D-cycloserine and glutamate bound Human GluN1a-GluN2C NMDA receptor in splayed conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
Authors:Chou, T.-H, Furukawa, H.
Deposit date:2022-08-26
Release date:2022-12-07
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Structural insights into assembly and function of GluN1-2C, GluN1-2A-2C, and GluN1-2D NMDARs.
Mol.Cell, 82, 2022
8E92
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BU of 8e92 by Molmil
D-cycloserine and glutamate bound Human GluN1a-GluN2C NMDA receptor in intact conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
Authors:Chou, T.-H, Furukawa, H.
Deposit date:2022-08-26
Release date:2022-12-07
Last modified:2022-12-14
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Structural insights into assembly and function of GluN1-2C, GluN1-2A-2C, and GluN1-2D NMDARs.
Mol.Cell, 82, 2022
9DW6
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BU of 9dw6 by Molmil
Crystal structure of SARS-CoV-2 main protease (Mpro) C145A mutant in complex with peptide from human tRNA methyltransferase TRMT1
Descriptor: 3C-like proteinase nsp5, CHLORIDE ION, GLYCEROL, ...
Authors:D'Oliviera, A, Mugridge, J.S.
Deposit date:2024-10-08
Release date:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Recognition and Cleavage of Human tRNA Methyltransferase TRMT1 by the SARS-CoV-2 Main Protease.
Elife, 2023
9BJO
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BU of 9bjo by Molmil
Cryo-EM of Azo-ffsy fiber
Descriptor: D-peptide ffsy
Authors:Zia, A, Guo, J, Xu, B, Wang, F.
Deposit date:2024-04-25
Release date:2024-09-18
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cell-Free Nonequilibrium Assembly for Hierarchical Protein/Peptide Nanopillars.
J.Am.Chem.Soc., 146, 2024
9BJN
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BU of 9bjn by Molmil
Cryo-EM of Azo-ffspy fiber
Descriptor: D-peptide ffspy
Authors:Zia, A, Guo, J, Xu, B, Wang, F.
Deposit date:2024-04-25
Release date:2024-09-18
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cell-Free Nonequilibrium Assembly for Hierarchical Protein/Peptide Nanopillars.
J.Am.Chem.Soc., 146, 2024
6DZA
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BU of 6dza by Molmil
Solution structure of Rbfox2 RRM mimetic peptide CPfox4
Descriptor: CPfox4
Authors:Sun, Y.-T, Shortridge, M.D, Varani, G.
Deposit date:2018-07-03
Release date:2019-05-15
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:A Small Cyclic beta-Hairpin Peptide Mimics the Rbfox2 RNA Recognition Motif and Binds to the Precursor miRNA 20b.
Chembiochem, 20, 2019
8Q7J
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BU of 8q7j by Molmil
Conformations of macrocyclic peptides sampled by exact NOEs: models for cell-permeability
Descriptor: CYCLOSPORIN A
Authors:Ruedisser, S.H, Matabaro, E, Sonderegger, L, Guentert, P, Kuenzler, M, Gossert, A.D.
Deposit date:2023-08-16
Release date:2023-12-06
Last modified:2024-01-03
Method:SOLUTION NMR
Cite:Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability.
J.Am.Chem.Soc., 145, 2023
4XA8
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BU of 4xa8 by Molmil
Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from Xanthobacter autotrophicus Py2
Descriptor: D-isomer specific 2-hydroxyacid dehydrogenase NAD-binding
Authors:Handing, K.B, Gasiorowska, O.A, Shabalin, I.G, Cymborowski, M.T, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-12-12
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from Xanthobacter autotrophicus Py2.
to be published
1U6P
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BU of 1u6p by Molmil
NMR Structure of the MLV encapsidation signal bound to the Nucleocapsid protein
Descriptor: 101-MER, Gag polyprotein, ZINC ION
Authors:D'Souza, V, Summers, M.F.
Deposit date:2004-07-30
Release date:2004-11-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural basis for packaging the dimeric genome of Moloney murine leukaemia virus
Nature, 431, 2004
6QYT
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BU of 6qyt by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A truncated analogue
Descriptor: DAL-LEU-SER-LEU-CYS-ALA
Authors:Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
Deposit date:2019-03-09
Release date:2019-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
6QYW
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BU of 6qyw by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - nisin ring A
Descriptor: ILE-DBU-DAL-ILE-DHA-LEU-CYS-ALA
Authors:Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
Deposit date:2019-03-09
Release date:2019-09-11
Last modified:2019-10-02
Method:SOLUTION NMR
Cite:Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
6QYS
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BU of 6qys by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Nisin Ring B
Descriptor: DBB-PRO-GLY-CYS-LYS
Authors:Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
Deposit date:2019-03-09
Release date:2019-09-11
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
8EFQ
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BU of 8efq by Molmil
DAMGO-bound mu-opioid receptor-Gi complex
Descriptor: DAMGO, ETHANOLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E.
Deposit date:2022-09-08
Release date:2022-11-09
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
8CK0
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BU of 8ck0 by Molmil
Carin1 bacteriophage portal assembly
Descriptor: Portal protein
Authors:d'Acapito, A, Neumann, E, Schoehn, G.
Deposit date:2023-02-14
Release date:2023-03-15
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural Study of the Cobetia marina Bacteriophage 1 (Carin-1) by Cryo-EM.
J.Virol., 97, 2023
6ZR9
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BU of 6zr9 by Molmil
The crystal structure of the complex of hCAVII with 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
Descriptor: 2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 7, ZINC ION
Authors:D'Ambrosio, K, De Simone, G, Di Fiore, A.
Deposit date:2020-07-11
Release date:2021-06-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The crystal structures of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II and VII provide insights into selective CA inhibitor development
New J.Chem., 45, 2021
6D2U
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BU of 6d2u by Molmil
Solution structure of a ultra-high affinity macrocycle bound to HIV-1 TAR RNA
Descriptor: DAB-VAL-ARG-THR-ARG-LYS-GLY-ARG-ARG-ILE-NOR-ILE-DPR-PRO, RNA (29-MER)
Authors:Shortridge, M.D, Varani, G.
Deposit date:2018-04-13
Release date:2018-12-12
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:An ultra-high affinity ligand of HIV-1 TAR reveals the RNA structure recognized by P-TEFb.
Nucleic Acids Res., 47, 2019
8A3L
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BU of 8a3l by Molmil
Structural insights into the binding of bS1 to the ribosome
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S1, ...
Authors:D'Urso, G, Chat, S, Gillet, R, Giudice, E.
Deposit date:2022-06-08
Release date:2023-05-10
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Structural insights into the binding of bS1 to the ribosome.
Nucleic Acids Res., 51, 2023
6WGN
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BU of 6wgn by Molmil
Crystal structure of K-Ras(G12D) GppNHp bound to cyclic peptide ligand KD2
Descriptor: Cyclic Peptide KD2, GTPase KRas, MAGNESIUM ION, ...
Authors:Zhang, Z, Gao, R, Hu, Q, Peacock, H, Peacock, D.M, Shokat, K.M, Suga, H.
Deposit date:2020-04-06
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:GTP-State-Selective Cyclic Peptide Ligands of K-Ras(G12D) Block Its Interaction with Raf.
Acs Cent.Sci., 6, 2020
6DZ9
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BU of 6dz9 by Molmil
Solution structure of Rbfox2 RRM mimetic peptide CPfox2
Descriptor: CPfox2
Authors:Sun, Y.-T, Shortridge, M.D, Varani, G.
Deposit date:2018-07-03
Release date:2019-05-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A Small Cyclic beta-Hairpin Peptide Mimics the Rbfox2 RNA Recognition Motif and Binds to the Precursor miRNA 20b.
Chembiochem, 20, 2019
6QYV
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BU of 6qyv by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A (Ser2, Ala5, Ala8) analogue
Descriptor: PHE-SER-DAL-LEU-ALA-LEU-CYS-ALA
Authors:Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
Deposit date:2019-03-09
Release date:2019-09-11
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
6QTF
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BU of 6qtf by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring B, major conformer
Descriptor: DCY-LEU-GLY-ALA-THR
Authors:Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
Deposit date:2019-02-25
Release date:2019-09-11
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
6QYU
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BU of 6qyu by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A
Descriptor: PHE-DHA-DAL-LEU-DHA-LEU-CYS-ALA
Authors:Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
Deposit date:2019-03-09
Release date:2019-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
6QYR
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BU of 6qyr by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring B, minor conformer
Descriptor: DAL-LEU-GLY-CYS-THR
Authors:Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
Deposit date:2019-03-09
Release date:2019-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019

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