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6O35
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BU of 6o35 by Molmil
Crystal structure of a de novo designed octameric helical-bundle protein
分子名称: de novo designed WSHC8
著者Bick, M.J, Xu, C, Sankaran, B, Baker, D.
登録日2019-02-25
公開日2020-03-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Computational design of transmembrane pores.
Nature, 585, 2020
6U1S
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BU of 6u1s by Molmil
Cryo-EM structure of a de novo designed 16-helix transmembrane nanopore, TMHC8_R.
分子名称: de novo designed 16-helix transmembrane nanopore, TMHC8_R
著者Johnson, M.J, Reggiano, G, Xu, C, Lu, P, Hsia, Y, Brunette, T.J, DiMaio, F, Baker, D, Kollman, J.
登録日2019-08-16
公開日2020-08-19
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (7.6 Å)
主引用文献Computational Design of Transmembrane Channels
To Be Published
3OQ8
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BU of 3oq8 by Molmil
Crystal structure of isocitrate lyase from Brucella melitensis, bound to the product mimic malonate
分子名称: 1,2-ETHANEDIOL, Isocitrate lyase, MALONIC ACID, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-09-02
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of isocitrate lyase from Brucella melitensis, bound to the product mimic malonate
To be Published
7JZL
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BU of 7jzl by Molmil
SARS-CoV-2 spike in complex with LCB1 (2RBDs open)
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, LCB1, ...
著者Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-02
公開日2020-09-23
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
Science, 370, 2020
7JZN
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BU of 7jzn by Molmil
SARS-CoV-2 spike in complex with LCB3 (2RBDs open)
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, LCB3, ...
著者Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-02
公開日2020-09-23
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
Science, 370, 2020
7JZM
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BU of 7jzm by Molmil
SARS-CoV-2 spike in complex with LCB3 (local refinement of the RBD and LCB3)
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, LCB3, Spike glycoprotein
著者Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-02
公開日2020-09-23
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
Science, 370, 2020
7JZU
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BU of 7jzu by Molmil
SARS-CoV-2 spike in complex with LCB1 (local refinement of the RBD and LCB1)
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, LCB1, Spike glycoprotein
著者Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-02
公開日2020-09-23
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
Science, 370, 2020
3P0X
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BU of 3p0x by Molmil
Crystal structure of isocitrate lyase from Brucella melitensis, bound to magnesium isocitrate
分子名称: 1,2-ETHANEDIOL, ISOCITRIC ACID, Isocitrate lyase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-09-29
公開日2010-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of isocitrate lyase from Brucella melitensis, bound to magnesium isocitrate
To be Published
3RMI
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BU of 3rmi by Molmil
Crystal structure of Chorismate mutase from Bartonella henselae str. Houston-1 in complex with malate
分子名称: 1,2-ETHANEDIOL, Chorismate mutase protein, D-MALATE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-04-20
公開日2011-05-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of Chorismate mutase from Bartonella henselae str. Houston-1 in complex with malate
To be Published
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%)
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2022-03-14
公開日2022-09-14
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献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)
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2022-03-14
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
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%)
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2022-03-14
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
7UCP
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BU of 7ucp by Molmil
computationally designed macrocycle
分子名称: computationally designed cyclic peptide D8.3.p2
著者Bhardwaj, G, Baker, D, Rettie, S, Glynn, C, Sawaya, M.
登録日2022-03-17
公開日2022-09-14
最終更新日2022-09-28
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献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)
分子名称: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-05-09
公開日2022-09-14
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献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
分子名称: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
著者Ramelot, T.A, Tejero, R, Monteltione, G.T.
登録日2022-03-14
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
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
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2022-03-14
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
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)
分子名称: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-03-14
公開日2022-09-14
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献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
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2022-03-14
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
8EVM
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BU of 8evm by Molmil
De novo design of chlorophyll special pair containing protein assemblies
分子名称: Chlorophyll dimer protein designs, Special Pair 3 (SP3x)
著者Bera, A.K, Ennist, N.M.
登録日2022-10-20
公開日2024-05-15
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 20, 2024
1ZO9
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BU of 1zo9 by Molmil
Crystal Structure Of The Wild Type Heme Domain Of P450BM-3 with N-palmitoylmethionine
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450:NADPH-P450 reductase, GLYCEROL, ...
著者Hegda, A, Chen, B, Tomchick, D.R, Bondlela, M, Haines, D.C, Schaffer, N, Machius, M, Graham, S.E, Peterson, J.A.
登録日2005-05-12
公開日2006-08-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Interactions of substrates at the surface of P450s can greatly enhance substrate potency.
Biochemistry, 46, 2007
8T5E
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BU of 8t5e by Molmil
De novo design of high-affinity protein binders to bioactive helical peptides
分子名称: Bcl-2-like protein 11, Bim_fulldiff
著者Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A.
登録日2023-06-13
公開日2024-01-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
8T5F
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BU of 8t5f by Molmil
De novo design of high-affinity protein binders to bioactive helical peptides
分子名称: Parathyroid hormone
著者Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A.
登録日2023-06-13
公開日2024-01-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
7KNA
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BU of 7kna by Molmil
Localized reconstruction of the H1 A/Michigan/45/2015 ectodomain displayed at the surface of I53_dn5 nanoparticle
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, Hemagglutinin,I53_dn5
著者Acton, O.J, Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-11-04
公開日2021-03-31
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Quadrivalent influenza nanoparticle vaccines induce broad protection.
Nature, 592, 2021
7UDK
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BU of 7udk by Molmil
Crystal structure of designed helical repeat protein RPB_LRP2_R4 bound to LRPx4 peptide
分子名称: 4xLRP, Designed helical repeat protein (DHR) RPB_LRP2_R4
著者Chang, Y, Redler, R.L, Bhabha, G, Ekiert, D.C.
登録日2022-03-20
公開日2023-03-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献De novo design of modular peptide-binding proteins by superhelical matching.
Nature, 616, 2023
7UDL
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BU of 7udl by Molmil
Crystal structure of designed helical repeat protein RPB_PLP1_R6 bound to PLPx6 peptide
分子名称: 1,2-ETHANEDIOL, 6xPLP Peptide, Designed helical repeat protein (DHR) RPB_PLP1_R6
著者Chang, Y, Redler, R.L, Bhabha, G, Ekiert, D.C.
登録日2022-03-20
公開日2023-03-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献De novo design of modular peptide-binding proteins by superhelical matching.
Nature, 616, 2023

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