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2ND2
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BU of 2nd2 by Molmil
Solution structure of the de novo mini protein gHHH_06
Descriptor: De novo mini protein HHH_06
Authors:Pulavarti, S.V, Eletsky, A, Bahl, C.D, Buchko, G.W, Baker, D, Szyperski, T.
Deposit date:2016-04-22
Release date:2016-09-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
2MQ8
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BU of 2mq8 by Molmil
Solution NMR Structure of De novo designed protein LFR1 1 with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR414
Descriptor: De novo designed protein LFR1
Authors:Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Pederson, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2014-06-12
Release date:2014-08-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Control over overall shape and size in de novo designed proteins.
Proc.Natl.Acad.Sci.USA, 112, 2015
2N75
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BU of 2n75 by Molmil
Solution NMR Structure of De novo designed protein, Rossmann2x2 Fold, Northeast Structural Genomics Consortium (NESG) Target OR446
Descriptor: De novo designed protein
Authors:Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Pederson, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-09-03
Release date:2016-01-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of De novo designed protein, Rossmann2x2 Fold, Northeast Structural Genomics Consortium (NESG) Target OR446
To be Published
2N76
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BU of 2n76 by Molmil
Solution NMR Structure of De novo designed protein LFR1 1 with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR414
Descriptor: De novo designed protein LFR1
Authors:Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Pederson, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-09-03
Release date:2016-01-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of De novo designed protein LFR1 1 with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR414
To be Published
2N3Z
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BU of 2n3z by Molmil
Solution NMR Structure of de novo designed protein, Rossmann2x2 Fold, Northeast Structural Genomics Consortium (NESG) Target OR446
Descriptor: OR446
Authors:Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Pederson, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-06-15
Release date:2015-09-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of DE NOVO DESIGNED PROTEIN, Rossmann2x2 Fold, Northeast Structural Genomics Consortium (NESG) Target OR446
To be Published
8V3B
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BU of 8v3b by Molmil
Computational Designed Nanocage O43_129_+4
Descriptor: O43_129_+4 component A, O43_129_+4 component B
Authors:Carr, K.D, Weidle, C, Borst, A.J.
Deposit date:2023-11-27
Release date:2024-03-13
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Blueprinting extendable nanomaterials with standardized protein blocks.
Nature, 627, 2024
9BEI
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BU of 9bei by Molmil
Cryo-EM structure of synthetic claudin-4 complex with Clostridium perfringens enterotoxin C-terminal domain, sFab COP-2, and Nanobody
Descriptor: Anti-fab nanobody, COP-2 Fab Heavy chain, COP-2 Fab Light chain, ...
Authors:Vecchio, A.J.
Deposit date:2024-04-15
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (4.16 Å)
Cite:Computational design of soluble functional analogues of integral membrane proteins
To be published
4TVW
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BU of 4tvw by Molmil
Resorufin ligase with bound resorufin-AMP analog
Descriptor: 5'-O-{[5-(7-hydroxy-3-oxo-3H-phenoxazin-2-yl)pentanoyl]sulfamoyl}adenosine, Lipoate-protein ligase A
Authors:Goldman, P.J, Drennan, C.L.
Deposit date:2014-06-28
Release date:2014-10-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.505 Å)
Cite:Computational design of a red fluorophore ligase for site-specific protein labeling in living cells.
Proc.Natl.Acad.Sci.USA, 111, 2014
4W4M
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BU of 4w4m by Molmil
Crystal structure of PrgK 19-92
Descriptor: Lipoprotein PrgK
Authors:Bergeron, J.R.C, Strynadka, N.C.J.
Deposit date:2014-08-15
Release date:2014-10-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Modular Structure of the Inner-Membrane Ring Component PrgK Facilitates Assembly of the Type III Secretion System Basal Body.
Structure, 23, 2015
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)
Descriptor: 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
Authors:Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2022-03-26
Release date:2022-06-08
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3 Å)
Cite: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
Descriptor: 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, ...
Authors:Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2022-03-26
Release date:2022-06-08
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Multivalent designed proteins neutralize SARS-CoV-2 variants of concern and confer protection against infection in mice.
Sci Transl Med, 14, 2022
8TL7
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BU of 8tl7 by Molmil
CryoEM Structure of a Computationally Designed T3 Tetrahedral Nanocage
Descriptor: Computationally designed protein
Authors:Weidle, C, Borst, A.J.
Deposit date:2023-07-26
Release date:2024-03-13
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:Blueprinting extendable nanomaterials with standardized protein blocks.
Nature, 627, 2024
8V2D
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BU of 8v2d by Molmil
Computational Designed Nanocage O43_129
Descriptor: O43_129 component A, O43_129 component B
Authors:Weidle, C, Kibler, R.D.
Deposit date:2023-11-22
Release date:2024-03-13
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (6.77 Å)
Cite:Blueprinting extendable nanomaterials with standardized protein blocks.
Nature, 627, 2024
6Q38
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BU of 6q38 by Molmil
The Crystal structure of CK2a bound to P1-C4
Descriptor: 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid, BENZOIC ACID, Casein kinase II subunit alpha, ...
Authors:Brear, P, Iegre, J, Baker, D, Tan, Y, Sore, H, Donovan, D, Spring, D, Chandra, V, Hyvonen, M.
Deposit date:2018-12-03
Release date:2019-04-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction.
Chem Sci, 10, 2019
6Q4Q
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BU of 6q4q by Molmil
The Crystal structure of CK2a bound to P2-C4
Descriptor: 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid, ACETATE ION, BENZOIC ACID, ...
Authors:Brear, P, Iegre, J, Baker, D, Tan, Y, Sore, H, Donovan, D, Spring, D, Chandra, V, Hyvonen, M.
Deposit date:2018-12-06
Release date:2019-04-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction.
Chem Sci, 10, 2019
8SK7
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BU of 8sk7 by Molmil
Cryo-EM structure of designed Influenza HA binder, HA_20, bound to Influenza HA (Strain: Iowa43)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HA_20 minibinder (RFdiffusion-designed), ...
Authors:Borst, A.J, Bennett, N.R.
Deposit date:2023-04-18
Release date:2023-06-14
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:De novo design of protein structure and function with RFdiffusion.
Nature, 620, 2023
6NY8
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BU of 6ny8 by Molmil
Crystal structure of computationally designed protein XAA_GVDQ with calcium
Descriptor: CALCIUM ION, CHLORIDE ION, Design construct XAA_GVDQ
Authors:Wei, K.Y, Bick, M.J.
Deposit date:2019-02-11
Release date:2020-04-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NYE
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BU of 6nye by Molmil
Crystal structure of computationally designed protein XAX
Descriptor: Design construct XAX
Authors:Wei, K.Y, Bick, M.J.
Deposit date:2019-02-11
Release date:2020-04-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NZ1
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BU of 6nz1 by Molmil
Crystal structure of computationally designed protein XXA_GVDQ
Descriptor: Design construct XXA_GVDQ
Authors:Wei, K.Y, Bick, M.J.
Deposit date:2019-02-12
Release date:2020-04-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NXM
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BU of 6nxm by Molmil
Crystal structure of computationally designed protein XAA_GVDQ
Descriptor: Design construct XAA_GVDQ
Authors:Wei, K.Y, Bick, M.J.
Deposit date:2019-02-08
Release date:2020-04-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NX2
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BU of 6nx2 by Molmil
Crystal structure of computationally designed protein AAA
Descriptor: BROMIDE ION, Design construct AAA
Authors:Wei, K.Y, Bick, M.J.
Deposit date:2019-02-07
Release date:2020-04-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NYI
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BU of 6nyi by Molmil
Crystal structure of computationally designed protein XXA
Descriptor: Design construct XXA
Authors:Wei, K.Y, Bick, M.J.
Deposit date:2019-02-11
Release date:2020-04-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NYK
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BU of 6nyk by Molmil
Crystal structure of computationally designed protein XAX_GGDQ
Descriptor: Design construct XAX_GGDQ
Authors:Wei, K.Y, Bick, M.J.
Deposit date:2019-02-11
Release date:2020-04-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NZ3
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BU of 6nz3 by Molmil
Crystal structure of computationally designed protein XAA_GGHN
Descriptor: CHLORIDE ION, Design construct XAA_GGHN
Authors:Wei, K.Y, Bick, M.J.
Deposit date:2019-02-12
Release date:2020-04-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 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

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