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4DRT
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BU of 4drt by Molmil
Three dimensional structure of de novo designed serine hydrolase OSH26, Northeast Structural Genomics Consortium (NESG) target OR89
Descriptor: CHLORIDE ION, SODIUM ION, de novo designed serine hydrolase, ...
Authors:Kuzin, A, Su, M, Rajagopalan, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-02-17
Release date:2012-04-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
5CW9
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BU of 5cw9 by Molmil
Crystal structure of De novo designed ferredoxin-ferredoxin domain insertion protein
Descriptor: De novo designed ferredoxin-ferredoxin domain insertion protein
Authors:DiMaio, F, King, I.C, Gleixner, J, Doyle, L, Stoddard, B, Baker, D.
Deposit date:2015-07-28
Release date:2015-09-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.108 Å)
Cite:Precise assembly of complex beta sheet topologies from de novo designed building blocks.
Elife, 4, 2015
8FIQ
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BU of 8fiq by Molmil
Multi-state design of two-state switchable hinge proteins
Descriptor: cs207AB
Authors:Bera, A.K, Leung, P.J.Y, Baker, D.
Deposit date:2022-12-16
Release date:2023-08-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Design of stimulus-responsive two-state hinge proteins.
Science, 381, 2023
8FVT
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BU of 8fvt by Molmil
Multi-state design of two-state switchable hinge proteins
Descriptor: 3hb12
Authors:Bera, A.K, Broerman, A, Baker, D.
Deposit date:2023-01-19
Release date:2023-08-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Design of stimulus-responsive two-state hinge proteins.
Science, 381, 2023
8FIN
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BU of 8fin by Molmil
Multi-state design of two-state switchable hinge proteins
Descriptor: cs207A
Authors:Bera, A.K, Leung, P.J.Y, Baker, D.
Deposit date:2022-12-16
Release date:2023-08-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of stimulus-responsive two-state hinge proteins.
Science, 381, 2023
8FIH
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BU of 8fih by Molmil
Multi-state design of two-state switchable hinge proteins
Descriptor: 3hb05, PHOSPHATE ION
Authors:Bera, A.K, Broerman, A, Baker, D.
Deposit date:2022-12-16
Release date:2023-08-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design of stimulus-responsive two-state hinge proteins.
Science, 381, 2023
8FIT
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BU of 8fit by Molmil
Multi-state design of two-state switchable hinge proteins
Descriptor: cs074A
Authors:Bera, A.K, Praetorius, F, Baker, D.
Deposit date:2022-12-16
Release date:2023-08-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Design of stimulus-responsive two-state hinge proteins.
Science, 381, 2023
3U1V
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BU of 3u1v by Molmil
X-ray Structure of De Novo design cysteine esterase FR29, Northeast Structural Genomics Consortium Target OR52
Descriptor: De Novo design cysteine esterase FR29
Authors:Kuzin, A, Su, M, Vorobiev, S.M, Seetharaman, J, Patel, D, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-30
Release date:2011-12-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.797 Å)
Cite:Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
3J9G
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BU of 3j9g by Molmil
Atomic model of the VipA/VipB, the type six secretion system contractile sheath of Vibrio cholerae from cryo-EM
Descriptor: VipA, VipB
Authors:Kudryashev, M, Wang, R.Y.-R, Brackmann, M, Scherer, S, Maier, T, Baker, D, DiMaio, F, Stahlberg, H, Egelman, E.H, Basler, M.
Deposit date:2015-01-16
Release date:2015-03-11
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of the Type VI Secretion System Contractile Sheath.
Cell(Cambridge,Mass.), 160, 2015
3J1W
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BU of 3j1w by Molmil
A refined model of the prototypical Salmonella typhimurium T3SS basal body reveals the molecular basis for its assembly
Descriptor: Protein PrgH
Authors:Sgourakis, N.G, Worrall, L.J, Strynadka, N.C.J, Baker, D.
Deposit date:2012-07-10
Release date:2013-05-22
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (11.7 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
3J3X
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BU of 3j3x by Molmil
Independent reconstruction of Mm-cpn cryo-EM density map from half dataset in the closed state (training map)
Descriptor: Chaperonin
Authors:DiMaio, F, Zhang, J, Chiu, W, Baker, D.
Deposit date:2013-05-02
Release date:2013-05-29
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-EM model validation using independent map reconstructions.
Protein Sci., 22, 2013
3JVE
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BU of 3jve by Molmil
Crystal Structure of the Sixth BRCT Domain of TopBP1
Descriptor: DNA topoisomerase 2-binding protein 1
Authors:Leung, C.C, Kellogg, E, Baker, D, Glover, J.N.M.
Deposit date:2009-09-16
Release date:2010-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Insights from the crystal structure of the sixth BRCT domain of topoisomerase IIbeta binding protein 1.
Protein Sci., 19, 2010
3J1V
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BU of 3j1v by Molmil
A refined model of the prototypical Salmonella typhimurium T3SS basal body reveals the molecular basis for its assembly
Descriptor: Protein InvG
Authors:Sgourakis, N.G, Bergeron, J.R.C, Strynadka, N.J.C, Baker, D.
Deposit date:2012-07-08
Release date:2013-05-22
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (11.7 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
3J02
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BU of 3j02 by Molmil
Lidless D386A Mm-cpn in the pre-hydrolysis ATP-bound state
Descriptor: Lidless D386A Mm-cpn variant
Authors:Zhang, J, Ma, B, DiMaio, F, Douglas, N.R, Joachimiak, L, Baker, D, Frydman, J, Levitt, M, Chiu, W.
Deposit date:2011-02-10
Release date:2011-05-18
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Cryo-EM structure of a group II chaperonin in the prehydrolysis ATP-bound state leading to lid closure.
Structure, 19, 2011
3J1X
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BU of 3j1x by Molmil
A refined model of the prototypical Salmonella typhimurium T3SS basal body reveals the molecular basis for its assembly
Descriptor: Protein PrgH
Authors:Sgourakis, N.G, Bergeron, J.R.C, Worrall, L.J, Strynadka, N.C.J, Baker, D.
Deposit date:2012-07-10
Release date:2013-05-22
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (11.7 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
3J6E
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BU of 3j6e by Molmil
Energy minimized average structure of Microtubules stabilized by GmpCpp
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
Authors:Alushin, G.M, Lander, G.C, Kellogg, E.H, Zhang, R, Baker, D, Nogales, E.
Deposit date:2014-02-18
Release date:2014-06-04
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:High-Resolution Microtubule Structures Reveal the Structural Transitions in alpha beta-Tubulin upon GTP Hydrolysis.
Cell(Cambridge,Mass.), 157, 2014
3J89
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BU of 3j89 by Molmil
Structural Plasticity of Helical Nanotubes Based on Coiled-Coil Assemblies
Descriptor: synthetic peptide
Authors:Egelman, E.H, Xu, C, DiMaio, F, Magnotti, E, Modlin, C, Yu, X, Wright, E, Baker, D, Conticello, V.P.
Deposit date:2014-10-07
Release date:2015-02-11
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural plasticity of helical nanotubes based on coiled-coil assemblies.
Structure, 23, 2015
3J6F
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BU of 3j6f by Molmil
Minimized average structure of GDP-bound dynamic microtubules
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Alushin, G.M, Lander, G.C, Kellogg, E.H, Zhang, R, Baker, D, Nogales, E.
Deposit date:2014-02-19
Release date:2014-06-04
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:High-Resolution Microtubule Structures Reveal the Structural Transitions in alpha beta-Tubulin upon GTP Hydrolysis.
Cell(Cambridge,Mass.), 157, 2014
3J6G
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BU of 3j6g by Molmil
Minimized average structure of microtubules stabilized by taxol
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Alushin, G.M, Lander, G.C, Kellogg, E.H, Zhang, R, Baker, D, Nogales, E.
Deposit date:2014-02-19
Release date:2014-06-04
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:High-Resolution Microtubule Structures Reveal the Structural Transitions in alpha beta-Tubulin upon GTP Hydrolysis.
Cell(Cambridge,Mass.), 157, 2014
3LEV
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BU of 3lev by Molmil
HIV-1 antibody 2F5 in complex with epitope scaffold ES2
Descriptor: 2F5 ANTIBODY HEAVY CHAIN, 2F5 ANTIBODY LIGHT CHAIN, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Ofek, G, Guenaga, F.J, Schief, W.R, Skinner, J, Baker, D, Wyatt, R, Kwong, P.D.
Deposit date:2010-01-15
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Elicitation of structure-specific antibodies by epitope scaffolds.
Proc.Natl.Acad.Sci.USA, 107, 2010
2A3J
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BU of 2a3j by Molmil
Structure of URNdesign, a complete computational redesign of human U1A protein
Descriptor: U1 small nuclear ribonucleoprotein A
Authors:Varani, G, Dobson, N, Dantas, G, Baker, D.
Deposit date:2005-06-24
Release date:2006-06-06
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:High-Resolution Structural Validation of the Computational Redesign of Human U1A Protein
Structure, 14, 2006
3LES
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BU of 3les by Molmil
2F5 Epitope scaffold ES2
Descriptor: RNA polymerase sigma factor, SULFATE ION
Authors:Ofek, G, Guenaga, F.J, Schief, W.R, Skinner, J, Wyatt, R, Baker, D, Kwong, P.D.
Deposit date:2010-01-15
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Elicitation of structure-specific antibodies by epitope scaffolds.
Proc.Natl.Acad.Sci.USA, 107, 2010
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
3Q9U
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BU of 3q9u by Molmil
In silico and in vitro co-evolution of a high affinity complementary protein-protein interface
Descriptor: COENZYME A, CoA binding protein, consensus ankyrin repeat
Authors:Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC)
Deposit date:2011-01-10
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
3UYC
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BU of 3uyc by Molmil
Designed protein KE59 R8_2/7A
Descriptor: Kemp eliminase KE59 R8_2/7A, PHOSPHATE ION
Authors:Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
Deposit date:2011-12-06
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012

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