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7JZL
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BU of 7jzl by Molmil
SARS-CoV-2 spike in complex with LCB1 (2RBDs open)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LCB1, ...
Authors:Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-02
Release date:2020-09-23
Last modified:2020-11-04
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LCB3, ...
Authors:Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-02
Release date:2020-09-23
Last modified:2020-11-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, LCB3, Spike glycoprotein
Authors:Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-02
Release date:2020-09-23
Last modified:2020-11-04
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, LCB1, Spike glycoprotein
Authors:Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-02
Release date:2020-09-23
Last modified:2020-11-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
Science, 370, 2020
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
Descriptor: 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
Authors:Acton, O.J, Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-11-04
Release date:2021-03-31
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Quadrivalent influenza nanoparticle vaccines induce broad protection.
Nature, 592, 2021
4EFI
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BU of 4efi by Molmil
Crystal Structure of 3-oxoacyl-(Acyl-carrier protein) Synthase from Burkholderia Xenovorans LB400
Descriptor: 3-oxoacyl-(Acyl-carrier protein) synthase, CHLORIDE ION, FORMIC ACID, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Craig, T.K, Abendroth, J, Staker, B, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-03-29
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
4F2G
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BU of 4f2g by Molmil
The Crystal Structure of Ornithine carbamoyltransferase from Burkholderia thailandensis E264
Descriptor: 1,2-ETHANEDIOL, Ornithine carbamoyltransferase 1, PHOSPHATE ION
Authors:Craig, T.K, Fox, D, Staker, B, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-05-07
Release date:2012-05-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
5VMR
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BU of 5vmr by Molmil
Receptor binding domain of BoNT/B in complex with mini-protein binder Bot.2110.4
Descriptor: Bot.2110.4, Botulinum neurotoxin type B
Authors:Jin, R, Lam, K, Yao, G.
Deposit date:2017-04-28
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
5VID
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BU of 5vid by Molmil
Receptor binding domain of BoNT/B in complex with mini-protein binder Bot.0671.2
Descriptor: Bot.0671.2, Botulinum neurotoxin type B
Authors:Jin, R, Lam, K, Yao, G.
Deposit date:2017-04-15
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
5VLI
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BU of 5vli by Molmil
Computationally designed inhibitor peptide HB1.6928.2.3 in complex with influenza hemagglutinin (A/PuertoRico/8/1934)
Descriptor: 2,5,8,11-TETRAOXATRIDECANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bernard, S.M, Wilson, I.A.
Deposit date:2017-04-25
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
4H4G
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BU of 4h4g by Molmil
Crystal Structure of (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase from Burkholderia thailandensis E264
Descriptor: (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase
Authors:Craig, T.K, Edwards, T.E, Staker, B, Stewart, L, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-09-17
Release date:2012-10-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
1ZO9
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BU of 1zo9 by Molmil
Crystal Structure Of The Wild Type Heme Domain Of P450BM-3 with N-palmitoylmethionine
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450:NADPH-P450 reductase, GLYCEROL, ...
Authors:Hegda, A, Chen, B, Tomchick, D.R, Bondlela, M, Haines, D.C, Schaffer, N, Machius, M, Graham, S.E, Peterson, J.A.
Deposit date:2005-05-12
Release date:2006-08-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Interactions of substrates at the surface of P450s can greatly enhance substrate potency.
Biochemistry, 46, 2007
6TMS
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BU of 6tms by Molmil
Crystal structure of a de novo designed hexameric helical-bundle protein
Descriptor: SULFATE ION, a novel designed pore protein, affinity purification tag
Authors:Xu, C, Pei, X.Y, Luisi, B.F, Baker, D.
Deposit date:2019-12-05
Release date:2020-04-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: De novo designed WSHC6, purification tag
Authors:Xu, C, Pei, X.Y, Luisi, B.F, Baker, D.
Deposit date:2019-11-23
Release date:2020-04-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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.
Descriptor: de novo designed 16-helix transmembrane nanopore, TMHC8_R
Authors:Johnson, M.J, Reggiano, G, Xu, C, Lu, P, Hsia, Y, Brunette, T.J, DiMaio, F, Baker, D, Kollman, J.
Deposit date:2019-08-16
Release date:2020-08-19
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite:Computational Design of Transmembrane Channels
To Be Published
6M6Z
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BU of 6m6z by Molmil
A de novo designed transmembrane nanopore, TMH4C4
Descriptor: TMH4C4
Authors:Lu, P, Xu, C, Reggiano, G, Xu, Q, DiMaio, F, Baker, D.
Deposit date:2020-03-16
Release date:2020-06-24
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Computational design of transmembrane pores.
Nature, 585, 2020
6O35
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BU of 6o35 by Molmil
Crystal structure of a de novo designed octameric helical-bundle protein
Descriptor: de novo designed WSHC8
Authors:Bick, M.J, Xu, C, Sankaran, B, Baker, D.
Deposit date:2019-02-25
Release date:2020-03-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Computational design of transmembrane pores.
Nature, 585, 2020
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
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
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
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
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
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
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

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