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6E9Z
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BU of 6e9z by Molmil
DHF119 filament
分子名称: DHF119 filament
著者Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
登録日2018-08-01
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献De novo design of self-assembling helical protein filaments.
Science, 362, 2018
6E9V
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BU of 6e9v by Molmil
DHF79 filament
分子名称: DHF79 filament
著者Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
登録日2018-08-01
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (6.9 Å)
主引用文献De novo design of self-assembling helical protein filaments.
Science, 362, 2018
8CTO
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BU of 8cto by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
分子名称: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-05-16
公開日2022-09-14
最終更新日2022-09-28
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8CUN
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BU of 8cun 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%)
分子名称: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-05-17
公開日2022-09-14
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8CWA
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BU of 8cwa by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TC conformation, 53%)
分子名称: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-05-18
公開日2022-09-14
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
6TMS
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BU of 6tms by Molmil
Crystal structure of a de novo designed hexameric helical-bundle protein
分子名称: SULFATE ION, a novel designed pore protein, affinity purification tag
著者Xu, C, Pei, X.Y, Luisi, B.F, Baker, D.
登録日2019-12-05
公開日2020-04-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Computational design of transmembrane pores.
Nature, 585, 2020
6TJ1
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BU of 6tj1 by Molmil
Crystal structure of a de novo designed hexameric helical-bundle protein
分子名称: De novo designed WSHC6, purification tag
著者Xu, C, Pei, X.Y, Luisi, B.F, Baker, D.
登録日2019-11-23
公開日2020-04-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Computational design of transmembrane pores.
Nature, 585, 2020
7N1J
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BU of 7n1j by Molmil
Crystal structure of FGFR4 domain 3 in complex with a de novo-designed mini-binder
分子名称: Binder, Fibroblast growth factor receptor 4
著者Park, J.S, Lee, S.
登録日2021-05-27
公開日2022-04-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
7N1K
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BU of 7n1k by Molmil
Crystal structure of a de novo-designed mini-protein targeting FGFR
分子名称: Binder
著者Park, J.S, Lee, S.
登録日2021-05-27
公開日2022-04-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
7N3T
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BU of 7n3t by Molmil
TrkA ECD complex with designed miniprotein ligand
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Jude, K.M, Cao, L, Garcia, K.C.
登録日2021-06-01
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
3L56
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BU of 3l56 by Molmil
Crystal structure of the large c-terminal domain of polymerase basic protein 2 from influenza virus a/viet nam/1203/2004 (h5n1)
分子名称: Polymerase PB2
著者Staker, B.L, Edwards, T, Eric, S, Raymond, A, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-12-21
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Biological and structural characterization of a host-adapting amino acid in influenza virus.
Plos Pathog., 6, 2010
6DG6
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BU of 6dg6 by Molmil
Structure of a de novo designed Interleukin-2/Interleukin-15 mimetic
分子名称: Neoleukin-2/15
著者Jude, K.M, Silva, D.-A, Yu, S, Baker, D, Garcia, K.C.
登録日2018-05-16
公開日2019-01-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献De novo design of potent and selective mimics of IL-2 and IL-15.
Nature, 565, 2019
6DG5
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BU of 6dg5 by Molmil
Structure of a de novo designed Interleukin-2/Interleukin-15 mimetic complex with IL-2Rb and IL-2Rg
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit gamma, ...
著者Jude, K.M, Silva, D.-A, Yu, S, Baker, D, Garcia, K.C.
登録日2018-05-16
公開日2019-01-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.516 Å)
主引用文献De novo design of potent and selective mimics of IL-2 and IL-15.
Nature, 565, 2019
8GJI
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BU of 8gji by Molmil
De novo design of high-affinity protein binders to bioactive helical peptides
分子名称: GCG binder, Glucagon
著者Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A.
登録日2023-03-15
公開日2024-01-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
8GJG
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BU of 8gjg by Molmil
De novo design of high-affinity protein binders to bioactive helical peptides
分子名称: gluc_A04_0005, gluc_A04_0005 Binder
著者Leung, P.J.Y, Bera, A.K, Torres, S.V, Baker, D, Kang, A.
登録日2023-03-15
公開日2024-01-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
8GLT
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BU of 8glt by Molmil
Backbone model of de novo-designed chlorophyll-binding nanocage O32-15
分子名称: C2-chlorophyll-comp_O32-15_ctermHis, polyalanine model, C3-comp_O32-15
著者Redler, R.L, Ennist, N.M, Wang, S, Baker, D, Ekiert, D.C, Bhabha, G.
登録日2023-03-23
公開日2024-03-27
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (6.5 Å)
主引用文献De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 20, 2024
6WRW
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BU of 6wrw by Molmil
Crystal structure of computationally designed protein 2DS25.5 in complex with the human Transferrin receptor ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Computationally designed protein 2DS25.5, ...
著者Abraham, J, Coscia, A, Olal, D, Sahtoe, D.D, Baker, D, Clark, L.
登録日2020-04-30
公開日2021-04-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Transferrin receptor targeting by de novo sheet extension.
Proc.Natl.Acad.Sci.USA, 118, 2021
6WRX
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BU of 6wrx by Molmil
Crystal structure of computationally designed protein 2DS25.1 in complex with the human Transferrin receptor ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Abraham, J, Coscia, A, Olal, D, Sahtoe, D.D, Baker, D, Clark, L.
登録日2020-04-30
公開日2021-04-28
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Transferrin receptor targeting by de novo sheet extension.
Proc.Natl.Acad.Sci.USA, 118, 2021
6WRV
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BU of 6wrv by Molmil
Crystal structure of computationally designed protein 3DS18 in complex with the human Transferrin receptor ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Computationally designed protein 3DS18, ...
著者Abraham, J, Baker, D, Sahtoe, D.D, Coscia, A, Clark, L, Olal, D.
登録日2020-04-30
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Transferrin receptor targeting by de novo sheet extension.
Proc.Natl.Acad.Sci.USA, 118, 2021
8FRE
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BU of 8fre by Molmil
Designed loop protein RBL4
分子名称: 1,2-ETHANEDIOL, RBL4
著者Jude, K.M, Jiang, H, Baker, D, Garcia, K.C.
登録日2023-01-06
公開日2024-04-17
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献De novo design of buttressed loops for sculpting protein functions.
Nat.Chem.Biol., 20, 2024
8FRF
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BU of 8frf by Molmil
Homodimeric designed loop protein RBL7_C2_3
分子名称: MALONATE ION, RBL7_C2_3
著者Jude, K.M, Jiang, H, Baker, D, Garcia, K.C.
登録日2023-01-06
公開日2024-04-17
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献De novo design of buttressed loops for sculpting protein functions.
Nat.Chem.Biol., 20, 2024
5KOB
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BU of 5kob by Molmil
Crystal structure of a peptide deformylase from Burkholderia xenovorans
分子名称: 1,2-ETHANEDIOL, FE (II) ION, FORMIC ACID, ...
著者SSGCID, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-06-30
公開日2016-07-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of a peptide deformylase from Burkholderia xenovorans
to be published
7UHB
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BU of 7uhb by Molmil
SARS-CoV-2 spike in complex with AHB2-2GS-SB175 (local refinement of the RBD and AHB2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Multivalent miniprotein inhibitor AHB2-2GS-SB175, Spike glycoprotein
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-03-26
公開日2022-06-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Multivalent designed proteins neutralize SARS-CoV-2 variants of concern and confer protection against infection in mice.
Sci Transl Med, 14, 2022
7UHC
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BU of 7uhc by Molmil
SARS-CoV-2 spike in complex with AHB2-2GS-SB175
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Multivalent miniprotein inhibitor AHB2-2GS-SB175, ...
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-03-26
公開日2022-06-08
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Multivalent designed proteins neutralize SARS-CoV-2 variants of concern and confer protection against infection in mice.
Sci Transl Med, 14, 2022
6M6Z
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BU of 6m6z by Molmil
A de novo designed transmembrane nanopore, TMH4C4
分子名称: TMH4C4
著者Lu, P, Xu, C, Reggiano, G, Xu, Q, DiMaio, F, Baker, D.
登録日2020-03-16
公開日2020-06-24
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Computational design of transmembrane pores.
Nature, 585, 2020

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