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8QAA
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BU of 8qaa by Molmil
X-ray crystal structure of a de novo designed antiparallel coiled-coil 6-helix bundle with 4 heptad repeats, antiparallel 6-helix bundle-ALIA
Descriptor: antiparallel 6-helix bundle-ALIA
Authors:Albanese, K.I, Petrenas, R, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 2024
8QAE
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BU of 8qae by Molmil
X-ray crystal structure of a de novo designed single-chain antiparallel 6-helix alpha-helical barrel, sc-apCC-6-SLLA
Descriptor: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol, PENTAETHYLENE GLYCOL, sc-apCC-6-SLLA
Authors:Albanese, K.I, Petrenas, R, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 2024
8QAD
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BU of 8qad by Molmil
X-ray crystal structure of a de novo designed single-chain antiparallel 6-helix coiled-coil alpha-helical barrel, sc-apCC-6-LLIA
Descriptor: DODECAETHYLENE GLYCOL, sc-apCC-6-LLIA
Authors:Albanese, K.I, Petrenas, R, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 2024
8QAC
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BU of 8qac by Molmil
X-ray crystal structure of a de novo designed antiparallel coiled-coil 8-helix bundle with 4 heptad repeats, antiparallel 8-helix bundle-GLIA
Descriptor: antiparallel 8-helix bundle-GLIA
Authors:Albanese, K.I, Dawson, W.M, Petrenas, R, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 2024
8QAF
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BU of 8qaf by Molmil
X-ray crystal structure of a de novo designed single-chain antiparallel 8-helix coiled-coil alpha-helical barrel, sc-apCC-8
Descriptor: sc-apCC-8
Authors:Albanese, K.I, Petrenas, R, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 2024
8A3K
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BU of 8a3k by Molmil
X-ray crystal structure of a de novo designed single-chain antiparallel 4-helix coiled-coil bundle, sc-apCC-4
Descriptor: sc-apCC-4
Authors:Albanese, K.I, Mylemans, B, Naudin, E.A, Woolfson, D.N.
Deposit date:2022-06-08
Release date:2022-10-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:From peptides to proteins: coiled-coil tetramers to single-chain 4-helix bundles.
Chem Sci, 13, 2022
8QAG
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BU of 8qag by Molmil
X-ray crystal structure of a de novo designed single-chain parallel coiled-coil alpha-helical barrel with 6 inner helices, sc-CC-6-95
Descriptor: DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, sc-CC-6-95
Authors:Petrenas, R, Albanese, K.I, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 2024
8QAH
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BU of 8qah by Molmil
X-ray crystal structure of a de novo designed single-chain parallel coiled-coil alpha-helical barrel with 8 inner helices, sc-CC-8-58
Descriptor: sc-CC-8-58
Authors:Petrenas, R, Albanese, K.I, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 2024
8QAB
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BU of 8qab by Molmil
X-ray crystal structure of a de novo designed antiparallel coiled-coil hexameric alpha-helical barrel with 4 heptad repeats, apCCHex
Descriptor: 1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane, apCCHex
Authors:Naudin, E.N, Albanese, K.I, Petrenas, R, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 2024
8QKD
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BU of 8qkd by Molmil
X-ray crystal structure of a de novo designed single-chain parallel coiled-coil alpha-helical barrel with 5 inner helices, sc-CC-5-24
Descriptor: DI(HYDROXYETHYL)ETHER, sc-CC-5-24
Authors:Petrenas, R, Albanese, K.I, Woolfson, D.N.
Deposit date:2023-09-15
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 2024
8QAI
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BU of 8qai by Molmil
X-ray crystal structure of a de novo designed single-chain parallel coiled-coil alpha-helical barrel with 7 inner helices, sc-CC-7-LI
Descriptor: DI(HYDROXYETHYL)ETHER, sc-CC-7-LI
Authors:Petrenas, R, Albanese, K.I, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 2024
8A3G
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BU of 8a3g by Molmil
X-ray crystal structure of a de novo designed antiparallel coiled-coil homotetramer with 4 heptad repeats, apCC-Tet*
Descriptor: ACETATE ION, SODIUM ION, apCC-Tet*
Authors:Naudin, E.A, Mylemans, B, Albanese, K.I, Woolfson, D.N.
Deposit date:2022-06-08
Release date:2022-10-05
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:From peptides to proteins: coiled-coil tetramers to single-chain 4-helix bundles.
Chem Sci, 13, 2022
8A3I
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BU of 8a3i by Molmil
X-ray crystal structure of a de novo designed antiparallel coiled-coil homotetramer with 3 heptad repeats, apCC-Tet*3
Descriptor: apCC-Tet*3
Authors:Naudin, E.A, Mylemans, B, Albanese, K.I, Woolfson, D.N.
Deposit date:2022-06-08
Release date:2022-10-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:From peptides to proteins: coiled-coil tetramers to single-chain 4-helix bundles.
Chem Sci, 13, 2022
8A3J
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BU of 8a3j by Molmil
X-ray crystal structure of a de novo designed antiparallel coiled-coil heterotetramer with 3 heptad repeats, apCC-Tet*3-A2B2
Descriptor: apCC-Tet*3-A, apCC-Tet*3-B
Authors:Naudin, E.A, Mylemans, B, Albanese, K.I, Woolfson, D.N.
Deposit date:2022-06-08
Release date:2022-10-05
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:From peptides to proteins: coiled-coil tetramers to single-chain 4-helix bundles.
Chem Sci, 13, 2022
6MHA
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BU of 6mha by Molmil
dHP1 Chromodomain Y24W variant bound to histone H3 peptide containing trimethyllysine
Descriptor: Heterochromatin protein 1, histone H3 peptide containing trimethyllysine, H3K9me3
Authors:Brustad, E.M, Krone, M.W, Albanese, K.I, Waters, M.L.
Deposit date:2018-09-17
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.497 Å)
Cite:Thermodynamic consequences of Tyr to Trp mutations in the cation-pi-mediated binding of trimethyllysine by the HP1 chromodomain
Chem Sci, 11, 2020
8T4R
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BU of 8t4r by Molmil
RAG2-PHD finger in complex with H3K4tBuNle peptide
Descriptor: H3 histone peptide, V(D)J recombination-activating protein 2, ZINC ION
Authors:Kean, K.M, Travis, C.R, Waters, M.L.
Deposit date:2023-06-09
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Trimethyllysine Reader Proteins Exhibit Widespread Charge-Agnostic Binding via Different Mechanisms to Cationic and Neutral Ligands.
J.Am.Chem.Soc., 146, 2024
6ASZ
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BU of 6asz by Molmil
Chromodomain HP1 with Y24F mutation bound to histone H3 peptide containing trimethyl lysine
Descriptor: Heterochromatin protein 1, trimethyl lysine histone H3 tail peptide
Authors:Brustad, E.M, Baril, S.A, Waters, M.L.
Deposit date:2017-08-27
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.518 Å)
Cite:Investigation of Trimethyllysine Binding by the HP1 Chromodomain via Unnatural Amino Acid Mutagenesis.
J. Am. Chem. Soc., 139, 2017
6AT0
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BU of 6at0 by Molmil
Chromodomain HP1 with a p-nitro-L-phenylalanine mutation at position 24 bound to histone H3 peptide containing trimethyl lysine
Descriptor: Heterochromatin protein 1, trimethyl lysine histone H3 tail peptide
Authors:Brustad, E.M, Baril, S.A, Waters, M.L.
Deposit date:2017-08-27
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.285 Å)
Cite:Investigation of Trimethyllysine Binding by the HP1 Chromodomain via Unnatural Amino Acid Mutagenesis.
J. Am. Chem. Soc., 139, 2017

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