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4OYD
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BU of 4oyd by Molmil
Crystal structure of a computationally designed inhibitor of an Epstein-Barr viral Bcl-2 protein
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator BHRF1, Computationally designed Inhibitor
Authors:Shen, B, Procko, E, Baker, D, Stoddard, B.
Deposit date:2014-02-11
Release date:2014-07-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A computationally designed inhibitor of an epstein-barr viral bcl-2 protein induces apoptosis in infected cells.
Cell, 157, 2014
4UOS
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BU of 4uos by Molmil
Thermodynamic hyperstability in parametrically designed helical bundles
Descriptor: DESIGNED HELICAL BUNDLE
Authors:Oberdorfer, G, Huang, P, Pei, X.Y, Xu, C, Gonen, T, Nannenga, B, DiMaio, D, Rogers, J, Luisi, B.F, Baker, D.
Deposit date:2014-06-09
Release date:2014-11-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:High Thermodynamic Stability of Parametrically Designed Helical Bundles
Science, 346, 2014
5WP3
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BU of 5wp3 by Molmil
Crystal Structure of EED in complex with EB22
Descriptor: EB22, Polycomb protein EED, UNKNOWN ATOM OR ION
Authors:Dong, C, Tempel, W, Zhu, L, Moody, J.D, Baker, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2017-08-03
Release date:2017-09-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:First critical repressive H3K27me3 marks in embryonic stem cells identified using designed protein inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8F54
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BU of 8f54 by Molmil
Top-down design of protein architectures with reinforcement learning
Descriptor: RC_I_1
Authors:Borst, A.J, Baker, D.
Deposit date:2022-11-11
Release date:2023-05-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Top-down design of protein architectures with reinforcement learning.
Science, 380, 2023
8F4X
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BU of 8f4x by Molmil
Top-down design of protein architectures with reinforcement learning
Descriptor: RC_I_1-H11
Authors:Borst, A.J, Baker, D.
Deposit date:2022-11-11
Release date:2023-05-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Top-down design of protein architectures with reinforcement learning.
Science, 380, 2023
8F53
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BU of 8f53 by Molmil
Top-down design of protein architectures with reinforcement learning
Descriptor: RC_I_2
Authors:Borst, A.J, Baker, D.
Deposit date:2022-11-11
Release date:2023-05-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Top-down design of protein architectures with reinforcement learning.
Science, 380, 2023
6D0T
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BU of 6d0t by Molmil
De novo design of a fluorescence-activating beta barrel - BB1
Descriptor: BB1
Authors:Dou, J, Vorobieva, A.A, Sheffler, W, Doyle, L.A, Park, H, Bick, M.J, Mao, B, Foight, G.W, Lee, M, Carter, L, Sankaran, B, Ovchinnikov, S, Marcos, E, Huang, P, Vaughan, J.C, Stoddard, B.L, Baker, D.
Deposit date:2018-04-10
Release date:2018-09-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6W2V
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BU of 6w2v by Molmil
Junction 23, DHR14-DHR18
Descriptor: Junction 23 DHR14-DHR18
Authors:Bick, M.J, Brunette, T.J, Baker, D.
Deposit date:2020-03-08
Release date:2020-04-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Modular repeat protein sculpting using rigid helical junctions.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W3W
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BU of 6w3w by Molmil
An enumerative algorithm for de novo design of proteins with diverse pocket structures
Descriptor: DENOVO NTF2, NITRATE ION
Authors:Bera, A.K, Basanta, B, Dimaio, F, Sankaran, B, Baker, D.
Deposit date:2020-03-09
Release date:2020-04-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:An enumerative algorithm for de novo design of proteins with diverse pocket structures.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W2Q
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BU of 6w2q by Molmil
Junction 34, DHR53-DHR4
Descriptor: CALCIUM ION, Junction 34
Authors:Bick, M.J, Brunette, T.J, Baker, D.
Deposit date:2020-03-08
Release date:2020-04-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Modular repeat protein sculpting using rigid helical junctions.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W3D
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BU of 6w3d by Molmil
Rd1NTF2_05 with long sheet
Descriptor: Rd1NTF2_05
Authors:Bick, M.J, Basanta, B, Sankaran, B, Baker, D.
Deposit date:2020-03-09
Release date:2020-04-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:An enumerative algorithm for de novo design of proteins with diverse pocket structures.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W3G
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BU of 6w3g by Molmil
Rd1NTF2_04 with long sheet
Descriptor: Rd1NTF2_04
Authors:Bick, M.J, Basanta, B, Sankaran, B, Baker, D.
Deposit date:2020-03-09
Release date:2020-04-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:An enumerative algorithm for de novo design of proteins with diverse pocket structures.
Proc.Natl.Acad.Sci.USA, 117, 2020
3UW6
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BU of 3uw6 by Molmil
Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR120
Descriptor: Alanine racemase
Authors:Seetharaman, J, Lew, S, Nivon, L, Baker, D, Bjelic, S, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-11-30
Release date:2012-02-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction.
Acs Chem.Biol., 8, 2013
6W2W
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BU of 6w2w by Molmil
Junction 24, DHR14-DHR18
Descriptor: Junction 24 DHR14-DHR18
Authors:Bick, M.J, Brunette, T.J, Baker, D.
Deposit date:2020-03-08
Release date:2020-04-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Modular repeat protein sculpting using rigid helical junctions.
Proc.Natl.Acad.Sci.USA, 117, 2020
2MRA
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BU of 2mra by Molmil
Solution NMR Structure of De novo designed protein, Northeast Structural Genomics Consortium (NESG) Target OR459
Descriptor: De novo designed protein OR459
Authors:Pulavarti, S.V.S.R.K, Kipnis, Y, Sukumaran, D, Maglaqui, M, Janjua, H, Mao, L, Xiao, R, Kornhaber, G, Baker, D, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2014-07-02
Release date:2014-09-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of De novo designed protein, Northeast Structural Genomics Consortium (NESG) Target OR459
To be Published
6O0I
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BU of 6o0i by Molmil
NMR ensemble of computationally designed protein XAA
Descriptor: Design construct XAA
Authors:Wei, K.Y, Moschidi, D, Nerli, S, Sgourakis, N, Baker, D.
Deposit date:2019-02-16
Release date:2020-04-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
7RMY
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BU of 7rmy by Molmil
De Novo designed tunable protein pockets, D_3-337
Descriptor: De Novo designed tunable homodimer, D_3-337
Authors:Bera, A.K, Hicks, D.R, Kang, A, Sankaran, B, Baker, D.
Deposit date:2021-07-28
Release date:2022-08-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:De novo design of protein homodimers containing tunable symmetric protein pockets.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RMX
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BU of 7rmx by Molmil
Structure of De Novo designed tunable symmetric protein pockets
Descriptor: Tunable symmetric protein, D_3_212
Authors:Bera, A.K, Hicks, D.R, Kang, A, Sankaran, B, Baker, D.
Deposit date:2021-07-28
Release date:2022-08-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:De novo design of protein homodimers containing tunable symmetric protein pockets.
Proc.Natl.Acad.Sci.USA, 119, 2022
6O0C
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BU of 6o0c by Molmil
NMR ensemble of computationally designed protein XAA_GVDQ mutant M4L
Descriptor: Design construct XAA_GVDQ mutant M4L
Authors:Wei, K.Y, Moschidi, D, Nerli, S, Sgourakis, N, Baker, D.
Deposit date:2019-02-15
Release date:2020-04-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
2MBM
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BU of 2mbm by Molmil
Solution NMR Structure of De novo designed Top7 Fold Protein Top7m13, Northeast Structural Genomics Consortium (NESG) Target OR33
Descriptor: Top7 Fold Protein Top7m13
Authors:Liu, G, Zanghellini, A.L, Chan, K, Xiao, R, Janjua, H, Kogan, S, Maglaqui, M, Ciccosanti, C, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-08-02
Release date:2013-11-13
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Solution NMR Structure of De novo designed Top7 Fold Protein Top7m13, Northeast Structural Genomics Consortium (NESG) Target OR33
To be Published
2MV0
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BU of 2mv0 by Molmil
Solution NMR Structure of Maltose-binding protein from Escherichia coli, Northeast Structural Genomics Consortium (NESG) Target ER690
Descriptor: Maltose-binding periplasmic protein
Authors:Rossi, P, Lange, O.F, Sgourakis, N.G, Song, Y, Lee, H, Aramini, J.M, Ertekin, A, Xiao, R, Acton, T.B, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2014-09-18
Release date:2014-12-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples.
Proc.Natl.Acad.Sci.USA, 109, 2012
7S5B
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BU of 7s5b by Molmil
Unbound State of a De novo designed Protein Binder to the Human Interleukin-7 Receptor
Descriptor: Miniprotein Binder
Authors:Walsh, S.T.R, Cao, L, Baker, D.
Deposit date:2021-09-10
Release date:2022-05-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
2LV8
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BU of 2lv8 by Molmil
Solution NMR Structure de novo designed rossmann 2x2 fold protein, Northeast Structural Genomics Consortium (NESG) Target OR16
Descriptor: De novo designed rossmann 2x2 fold protein
Authors:Liu, G, Koga, R, Koga, N, Xiao, R, Pederson, K, Hamilton, K, Ciccosanti, C, Acton, T.B, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-06-29
Release date:2012-08-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Principles for designing ideal protein structures.
Nature, 491, 2012
2MBL
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BU of 2mbl by Molmil
Solution NMR Structure of De novo designed Top7 Fold Protein Top7m13, Northeast Structural Genomics Consortium (NESG) Target OR33
Descriptor: Top7 Fold Protein Top7m13
Authors:Liu, G, Zanghellini, A.L, Chan, K, Xiao, R, Janjua, H, Kogan, S, Maglaqui, M, Ciccosanti, C, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-08-02
Release date:2013-11-13
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Solution NMR Structure of De novo designed Top7 Fold Protein Top7m13, Northeast Structural Genomics Consortium (NESG) Target OR33
To be Published
2MME
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BU of 2mme by Molmil
Hybrid structure of the Shigella flexneri MxiH Type three secretion system needle
Descriptor: MxiH
Authors:Demers, J.P, Habenstein, B, Loquet, A, Vasa, S.K, Becker, S, Baker, D, Lange, A, Sgourakis, N.G.
Deposit date:2014-03-14
Release date:2014-10-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (7.7 Å), SOLID-STATE NMR
Cite:High-resolution structure of the Shigella type-III secretion needle by solid-state NMR and cryo-electron microscopy.
Nat Commun, 5, 2014

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