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4YY5
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BU of 4yy5 by Molmil
Computationally designed left-handed alpha/alpha toroid with 3 repeats in space group P43212
Descriptor: dTor_3x33L
Authors:Hallinan, J.P, Bradley, P, Stoddard, B.L.
Deposit date:2015-03-23
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Rational design of alpha-helical tandem repeat proteins with closed architectures.
Nature, 528, 2015
5BVB
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BU of 5bvb by Molmil
Engineered Digoxigenin binder DIG5.1a
Descriptor: DIG5.1a, DIGOXIGENIN
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2015-06-04
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge.
J.Chem.Inf.Model., 56, 2016
7L90
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BU of 7l90 by Molmil
BG505 SOSIP.v5.2 N241/N289 in complex with the polyclonal Fab pAbC-8 from animal Rh.33311 (Wk26 time point)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP.v5.2 N241/N289 - gp120, ...
Authors:Antanasijevic, A, Sewall, L.M, Ward, A.B.
Deposit date:2021-01-01
Release date:2021-08-04
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
7LDF
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BU of 7ldf by Molmil
High resolution NMR solution structure of a de novo designed minimal thioredoxin fold protein
Descriptor: Minimal thioredoxin fold protein, ems_thioM_802
Authors:Urbauer, J.L, Strauch, E.M.
Deposit date:2021-01-13
Release date:2022-07-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Sampling of structure and sequence space of small protein folds.
Nat Commun, 13, 2022
1XPW
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BU of 1xpw by Molmil
Solution NMR Structure of human protein HSPCO34. Northeast Structural Genomics Target HR1958
Descriptor: LOC51668 protein
Authors:Ramelot, T.A, Xiao, R, Ma, L.C, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-10-09
Release date:2004-11-09
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Improving NMR protein structure quality by Rosetta refinement: a molecular replacement study.
Proteins, 75, 2009
7QUX
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BU of 7qux by Molmil
Crystal structure of P7C8 bound to CK2alpha
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CARBAMIC ACID, Casein kinase II subunit alpha, ...
Authors:Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2022-01-19
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58, 2022
4DIU
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BU of 4diu by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR94
Descriptor: Engineered Protein PF00326
Authors:Seetharaman, J, Lew, S, Wang, D, Kohan, E, Patel, D, Whitehead, T, Fleishman, S, Ciccosanti, C, Xiao, R, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-01-31
Release date:2012-04-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR94
To be Published
6YZH
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BU of 6yzh by Molmil
Crystal structure of P8C9 bound to CK2alpha
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, GLYCEROL, ...
Authors:Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2020-05-07
Release date:2021-05-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58, 2022
6Z19
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BU of 6z19 by Molmil
Crystal structure of P8C9 bound to CK2alpha
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ...
Authors:Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2020-05-13
Release date:2021-05-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58, 2022
3CQW
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BU of 3cqw by Molmil
Crystal Structure of Akt-1 complexed with substrate peptide and inhibitor
Descriptor: 5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine, Glycogen synthase kinase-3 beta, MANGANESE (II) ION, ...
Authors:Pandit, J.
Deposit date:2008-04-03
Release date:2008-05-27
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthesis and structure based optimization of novel Akt inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
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
2Y92
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BU of 2y92 by Molmil
Crystal structure of MAL adaptor protein
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, TOLL/INTERLEUKIN-1 RECEPTOR DOMAIN-CONTAINING ADAPTER PROTEIN,
Authors:Valkov, E, Stamp, A, Martin, J.L, Kobe, B.
Deposit date:2011-02-11
Release date:2011-09-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Crystal Structure of Toll-Like Receptor Adaptor Mal/Tirap Reveals the Molecular Basis for Signal Transduction and Disease Protection.
Proc.Natl.Acad.Sci.USA, 108, 2011
3CQU
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BU of 3cqu by Molmil
Crystal Structure of Akt-1 complexed with substrate peptide and inhibitor
Descriptor: Glycogen synthase kinase-3 beta, N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, RAC-alpha serine/threonine-protein kinase
Authors:Pandit, J.
Deposit date:2008-04-03
Release date:2008-05-27
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Synthesis and structure based optimization of novel Akt inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
5WOD
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BU of 5wod by Molmil
De Novo Design of Covalently Constrained Meso-size Protein Scaffolds with Unique Tertiary Structures
Descriptor: 38-mer peptide
Authors:Wu, H, Wu, Y, DeGrado, W.F.
Deposit date:2017-08-01
Release date:2017-10-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures.
Proc. Natl. Acad. Sci. U.S.A., 114, 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
4G08
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BU of 4g08 by Molmil
Crystal structure of the periplasmic domain of InvG
Descriptor: Protein InvG
Authors:Bergeron, J.R.C, Strynadka, N.C.J.
Deposit date:2012-07-09
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:A Refined Model of the Prototypical Salmonella SPI-1 T3SS Basal Body Reveals the Molecular Basis for Its Assembly.
Plos Pathog., 9, 2013
4G2S
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BU of 4g2s by Molmil
Crystal structure of a Salmonella type III secretion system protein
Descriptor: CALCIUM ION, Protein prgH
Authors:Worrall, L.J, Vuckovic, M, Strynadka, N.C.J.
Deposit date:2012-07-12
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.858 Å)
Cite:A Refined Model of the Prototypical Salmonella SPI-1 T3SS Basal Body Reveals the Molecular Basis for Its Assembly.
Plos Pathog., 9, 2013
4G1I
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BU of 4g1i by Molmil
Structure of the PrgH periplasmic domain
Descriptor: PENTAETHYLENE GLYCOL, PHOSPHATE ION, Protein prgH
Authors:Bergeron, J.R.C, Worrall, L.J, Strynadka, N.C.J.
Deposit date:2012-07-10
Release date:2013-05-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Refined Model of the Prototypical Salmonella SPI-1 T3SS Basal Body Reveals the Molecular Basis for Its Assembly.
Plos Pathog., 9, 2013
7KBQ
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BU of 7kbq by Molmil
Solution NMR Structure of DE NOVO DESIGNED Rossmann 3x3 Fold Protein r3x3_bp3, Northeast Structural Genomics Consortium (NESG) Target OR689
Descriptor: DE NOVO DESIGNED OR689
Authors:Liu, G, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2020-10-02
Release date:2021-05-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Role of backbone strain in de novo design of complex alpha/beta protein structures Accurate de novo design of asymetric alpha/beta proteins with ten or more secondary structure elements requires consideration of backbone strain Design principle proposed from designed larger alpha/beta-proteins not folded as designed: Consistency between local, non-local, and global structures
To Be Published
7L7T
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BU of 7l7t by Molmil
BG505 SOSIP reconstructed from a designed nanoparticle, BG505 SOSIP-T33-31 (Component A)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP.v5.2(7S) - gp120, ...
Authors:Antanasijevic, A, Cannac, F, Sewall, L.M, Ward, A.B.
Deposit date:2020-12-30
Release date:2021-08-04
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
7L8C
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BU of 7l8c by Molmil
BG505 SOSIP MD39 in complex with the polyclonal Fab pAbC-3 from animal Rh.33104 (Wk26 time point)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP MD39 - gp120, ...
Authors:Antanasijevic, A, Sewall, L.M, Perrett, H.R, Ward, A.B.
Deposit date:2020-12-31
Release date:2021-08-04
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
7L8Y
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BU of 7l8y by Molmil
BG505 SOSIP.v5.2 N241/N289 in complex with the polyclonal Fab pAbC-5 from animal Rh.33311 (Wk26 time point)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP.v5.2 N241/N289 - gp120, ...
Authors:Antanasijevic, A, Sewall, L.M, Cannac, F, Ward, A.B.
Deposit date:2021-01-01
Release date:2021-08-04
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
7L85
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BU of 7l85 by Molmil
Designed tetrahedral nanoparticle T33-31 presenting BG505 SOSIP trimers
Descriptor: BG505 SOSIP-T33-31A, BG505 SOSIP-T33-31B
Authors:Antanasijevic, A, Sewall, L.M, Ward, A.B.
Deposit date:2020-12-31
Release date:2021-08-04
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
7L7U
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BU of 7l7u by Molmil
BG505 SOSIP reconstructed from a designed nanoparticle, BG505 SOSIP-T33-31 (Component B)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP.v5.2(7S) - gp120, ...
Authors:Antanasijevic, A, Froes Rocha, R, Sewall, L.M, Ward, A.B.
Deposit date:2020-12-30
Release date:2021-08-04
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021

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