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8IJK
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BU of 8ijk by Molmil
human KCNQ2-CaM-Ebio1 complex in the presence of PIP2
Descriptor: Calmodulin-1, N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
Authors:Ma, D, Guo, J.
Deposit date:2023-02-27
Release date:2024-01-17
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 20, 2024
5UN6
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BU of 5un6 by Molmil
Frizzled-8 complex with designed surrogate Wnt agonist, A1 dataset
Descriptor: Designed Wnt agonist B12, Frizzled-8
Authors:Janda, C.Y, Garcia, K.C, Jude, K.M.
Deposit date:2017-01-30
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Surrogate Wnt agonists that phenocopy canonical Wnt and beta-catenin signalling.
Nature, 545, 2017
5V46
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BU of 5v46 by Molmil
Crystal structure of the I113M, F270M, K291M, L308M mutant of SR1 domain of human sacsin
Descriptor: Sacsin
Authors:Menade, M, Kozlov, G, Gehring, K.
Deposit date:2017-03-08
Release date:2017-05-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of ubiquitin-like (Ubl) and Hsp90-like domains of sacsin provide insight into pathological mutations.
J. Biol. Chem., 293, 2018
5VSZ
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BU of 5vsz by Molmil
Structure of the Ubl domain of Sacsin mutant L78M
Descriptor: Sacsin
Authors:Trempe, J.-F, Pande, H, Shenker, S, Gehring, K.
Deposit date:2017-05-15
Release date:2017-05-31
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of ubiquitin-like (Ubl) and Hsp90-like domains of sacsin provide insight into pathological mutations.
J. Biol. Chem., 293, 2018
8J5K
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BU of 8j5k by Molmil
Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana
Descriptor: (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol, (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, ...
Authors:Shen, L.L, Li, Z.H, Shen, J.R, Wang, W.D.
Deposit date:2023-04-23
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana.
Nat Commun, 14, 2023
8J7Z
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BU of 8j7z by Molmil
Structure of FCP trimer in Cyclotella meneghiniana
Descriptor: (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, CHLOROPHYLL A, ...
Authors:Shen, L.L, Li, Z.H, Shen, J.R, Wang, W.D.
Deposit date:2023-04-28
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana.
Nat Commun, 14, 2023
5VSX
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BU of 5vsx by Molmil
Structure of the Ubl domain of Sacsin
Descriptor: Sacsin
Authors:Trempe, J.-F, Pande, H, Shenker, S, Gehring, K.
Deposit date:2017-05-13
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of ubiquitin-like (Ubl) and Hsp90-like domains of sacsin provide insight into pathological mutations.
J. Biol. Chem., 293, 2018
5W21
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BU of 5w21 by Molmil
Crystal Structure of a 1:1:1 FGF23-FGFR1c-aKlotho Ternary Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibroblast growth factor 23, Fibroblast growth factor receptor 1, ...
Authors:Mohammadi, M.
Deposit date:2017-06-05
Release date:2018-01-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:alpha-Klotho is a non-enzymatic molecular scaffold for FGF23 hormone signalling.
Nature, 553, 2018
6KPC
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BU of 6kpc by Molmil
Crystal structure of an agonist bound GPCR
Descriptor: 7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]- 7-methyloctanenitrile, Cannabinoid receptor 2,Endolysin
Authors:Li, X.T, Hua, T, Wu, L.J, Makriyannis, A, Wu, M, Liu, Z.J.
Deposit date:2019-08-15
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-GiComplex Structures.
Cell, 180, 2020
6KPF
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BU of 6kpf by Molmil
Cryo-EM structure of a class A GPCR with G protein complex
Descriptor: 7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]- 7-methyloctanenitrile, Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Li, X.T, Hua, T, Wu, L.J, Makriyannis, A, Shen, L, Wang, Y.X, Liu, Z.J.
Deposit date:2019-08-15
Release date:2020-02-12
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-GiComplex Structures.
Cell, 180, 2020
7UBF
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BU of 7ubf by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBD
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BU of 7ubd by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (A-CC conformation)
Descriptor: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBI
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BU of 7ubi by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TT conformation, 47%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UCP
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BU of 7ucp by Molmil
computationally designed macrocycle
Descriptor: computationally designed cyclic peptide D8.3.p2
Authors:Bhardwaj, G, Baker, D, Rettie, S, Glynn, C, Sawaya, M.
Deposit date:2022-03-17
Release date:2022-09-14
Last modified:2022-09-28
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UZL
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BU of 7uzl by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (B-TC conformation)
Descriptor: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-09
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBC
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BU of 7ubc by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in d6-DMSO with cis/trans switching
Descriptor: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
Authors:Ramelot, T.A, Tejero, R, Monteltione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBE
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BU of 7ube by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in d6-DMSO with cis/trans switching
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBG
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BU of 7ubg by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (A-TT conformation)
Descriptor: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBH
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BU of 7ubh by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in CDCl3 with cis/trans switching
Descriptor: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
6KPG
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BU of 6kpg by Molmil
Cryo-EM structure of CB1-G protein complex
Descriptor: (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Hua, T, Li, X.T, Wu, L.J, Makriyannis, A, Wang, Y.X, Shen, L, Liu, Z.J.
Deposit date:2019-08-15
Release date:2020-02-12
Last modified:2020-03-11
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-GiComplex Structures.
Cell, 180, 2020
6L5Z
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BU of 6l5z by Molmil
Crystal strucutre of AF9 YEATS domain in complex with a cyclopeptide inhibitor
Descriptor: Protein AF-9, SC0-ALO-ALA-SC3-SC4-NH2
Authors:Li, Y, Chen, G, Li, H.
Deposit date:2019-10-25
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Selective Targeting of AF9 YEATS Domain by Cyclopeptide Inhibitors with Preorganized Conformation.
J.Am.Chem.Soc., 142, 2020
6L8N
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BU of 6l8n by Molmil
Crystal structure of the K. lactis Rad5
Descriptor: DNA repair protein RAD5, ZINC ION
Authors:Shen, M, Xiang, S.
Deposit date:2019-11-06
Release date:2020-11-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural basis for the multi-activity factor Rad5 in replication stress tolerance.
Nat Commun, 12, 2021
5V45
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BU of 5v45 by Molmil
Crystal structure of the F270M, K291M, L318M mutant of SR1 domain of human sacsin
Descriptor: Sacsin
Authors:Menade, M, Kozlov, G, Gehring, K.
Deposit date:2017-03-08
Release date:2017-05-24
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structures of ubiquitin-like (Ubl) and Hsp90-like domains of sacsin provide insight into pathological mutations.
J. Biol. Chem., 293, 2018
6L8O
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BU of 6l8o by Molmil
Crystal structure of the K. lactis Rad5 (Hg-derivative)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA repair protein RAD5, MERCURY (II) ION
Authors:Shen, M, Xiang, S.
Deposit date:2019-11-06
Release date:2020-11-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis for the multi-activity factor Rad5 in replication stress tolerance.
Nat Commun, 12, 2021
7UR7
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BU of 7ur7 by Molmil
17_bp_sh3, a small beta-barrel de novo designed protein
Descriptor: 17_bp_sh3
Authors:Bera, A.K, Kim, D, Baker, D.
Deposit date:2022-04-21
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:De novo design of small beta barrel proteins.
Proc.Natl.Acad.Sci.USA, 120, 2023

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PDB entries from 2024-08-07

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