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4DQ1
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BU of 4dq1 by Molmil
Thymidylate synthase from Staphylococcus aureus.
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Osipiuk, J, Holowicki, J, Jedrzejczak, R, Rubin, E, Guinn, K, Ioerger, T, Baker, D, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2012-02-14
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Thymidylate synthase from Staphylococcus aureus.
To be Published
4EGG
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BU of 4egg by Molmil
Computationally Designed Self-assembling tetrahedron protein, T310
Descriptor: GLYCEROL, Putative acetyltransferase SACOL2570
Authors:Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O.
Deposit date:2012-03-30
Release date:2012-05-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Computational design of self-assembling protein nanomaterials with atomic level accuracy.
Science, 336, 2012
5TZO
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BU of 5tzo by Molmil
Computationally Designed Fentanyl Binder - Fen49*-Complex
Descriptor: CHLORIDE ION, Endo-1,4-beta-xylanase A, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide, ...
Authors:Bick, M.J, Greisen, P.J, Morey, K.J, Antunes, M.S, La, D, Sankaran, B, Reymond, L, Johnsson, K, Medford, J.I, Baker, D.
Deposit date:2016-11-22
Release date:2017-10-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Computational design of environmental sensors for the potent opioid fentanyl.
Elife, 6, 2017
5TVV
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BU of 5tvv by Molmil
Computationally Designed Fentanyl Binder - Fen49* Apo
Descriptor: Endo-1,4-beta-xylanase A, POTASSIUM ION
Authors:Bick, M.J, Greisen, P.J, Morey, K.J, Antunes, A.S, La, D, Sankaran, B, Reymond, L, Johnsson, K, Medford, J.I, Baker, D.
Deposit date:2016-11-10
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Computational design of environmental sensors for the potent opioid fentanyl.
Elife, 6, 2017
5TVY
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BU of 5tvy by Molmil
Computationally Designed Fentanyl Binder - Fen49
Descriptor: 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Endo-1,4-beta-xylanase A
Authors:Bick, M.J, Greisen, P.J, Morey, K.J, Antunes, M.S, La, D, Sankaran, B, Reymond, L, Johnsson, K, Medford, J.I, Baker, D.
Deposit date:2016-11-10
Release date:2017-10-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1 Å)
Cite:Computational design of environmental sensors for the potent opioid fentanyl.
Elife, 6, 2017
1MOW
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BU of 1mow by Molmil
E-DreI
Descriptor: 5'-D(*CP*CP*AP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*AP*GP*TP*TP*CP*CP*GP*GP*CP*G)-3', 5'-D(*CP*GP*CP*CP*GP*GP*AP*AP*CP*TP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*TP*GP*G)-3', GLYCEROL, ...
Authors:Chevalier, B.S, Kortemme, T, Chadsey, M.S, Baker, D, Monnat Jr, R.J, Stoddard, B.L.
Deposit date:2002-09-10
Release date:2002-11-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design, Activity and Structure of a Highly Specific Artificial Endonuclease
Mol.Cell, 10, 2002
1MPU
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BU of 1mpu by Molmil
Crystal Structure of the free human NKG2D immunoreceptor
Descriptor: NKG2-D type II integral membrane protein, PHOSPHATE ION
Authors:McFarland, B.J, Kortemme, T, Baker, D, Strong, R.K.
Deposit date:2002-09-12
Release date:2003-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Symmetry Recognizing Asymmetry: Analysis of the Interactions between the C-Type Lectin-like Immunoreceptor NKG2D and MHC Class I-like Ligands
Structure, 11, 2003
4FB7
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BU of 4fb7 by Molmil
The apo form of idole-3-glycerol phosphate synthase (TrpC) form Mycobacterium tuberculosis
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Indole-3-glycerol phosphate synthase
Authors:Michalska, K, Chhor, G, Jedrzejczak, R, Terwilliger, T.C, Rubin, E.J, Guinn, K, Baker, D, Ioerger, T.R, Sacchettini, J.C, Joachimiak, A, Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI), Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-05-22
Release date:2012-06-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The apo form of idole-3-glycerol phosphate synthase (TrpC) form Mycobacterium tuberculosis
To be Published
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
4FFD
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BU of 4ffd by Molmil
Crystal structure of engineered protein. northeast structural genomics consortium target or48
Descriptor: MAGNESIUM ION, PF00702 DOMAIN PROTEIN
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:2012-05-31
Release date:2013-02-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal structure of engineered protein. northeast structural genomics consortium target or48
To be Published
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
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
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
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
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
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
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
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
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
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
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
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
3U26
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BU of 3u26 by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR48
Descriptor: PF00702 domain protein
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:2011-09-30
Release date:2011-11-23
Last modified:2022-03-02
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction.
Acs Chem.Biol., 8, 2013
1PVH
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BU of 1pvh by Molmil
Crystal structure of leukemia inhibitory factor in complex with gp130
Descriptor: IODIDE ION, Interleukin-6 receptor beta chain, Leukemia inhibitory factor
Authors:Boulanger, M.J, Bankovich, A.J, Kortemme, T, Baker, D, Garcia, K.C.
Deposit date:2003-06-27
Release date:2003-10-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Convergent mechanisms for recognition of divergent cytokines by the shared signaling receptor gp130.
Mol.Cell, 12, 2003

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