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2MR6
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BU of 2mr6 by Molmil
Solution NMR Structure of De novo designed protein, Northeast Structural Genomics Consortium (NESG) Target OR462
分子名称: De novo designed Protein OR462
著者Xu, X, Nivon, L, Federizon, J.F, Maglaqui, M, Janjua, H, Mao, L, Xiao, R, Kornhaber, G, Baker, D, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2014-07-01
公開日2014-08-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of De novo designed protein, Northeast Structural Genomics Consortium (NESG) Target OR462
To be Published
2N41
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BU of 2n41 by Molmil
Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, Northeast Structural Genomics Consortium (NESG) Target OR34
分子名称: OR34
著者Liu, G, Chan, K, Basanta, B, 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)
登録日2015-06-16
公開日2016-03-02
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, Northeast Structural Genomics Consortium (NESG) Target OR34
To be Published
2N4E
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BU of 2n4e by Molmil
Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, Northeast Structural Genomics Consortium (NESG) Target OR34
分子名称: OR34
著者Liu, G, Chan, K, Basanta, B, 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)
登録日2015-06-17
公開日2015-12-09
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, Northeast Structural Genomics Consortium (NESG) Target OR34
To be Published
3U26
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BU of 3u26 by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR48
分子名称: PF00702 domain protein
著者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)
登録日2011-09-30
公開日2011-11-23
最終更新日2022-03-02
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction.
Acs Chem.Biol., 8, 2013
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
分子名称: De novo designed rossmann 2x2 fold protein
著者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)
登録日2012-06-29
公開日2012-08-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Principles for designing ideal protein structures.
Nature, 491, 2012
4W4M
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BU of 4w4m by Molmil
Crystal structure of PrgK 19-92
分子名称: Lipoprotein PrgK
著者Bergeron, J.R.C, Strynadka, N.C.J.
登録日2014-08-15
公開日2014-10-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The Modular Structure of the Inner-Membrane Ring Component PrgK Facilitates Assembly of the Type III Secretion System Basal Body.
Structure, 23, 2015
8V2D
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BU of 8v2d by Molmil
Computational Designed Nanocage O43_129
分子名称: O43_129 component A, O43_129 component B
著者Weidle, C, Kibler, R.D.
登録日2023-11-22
公開日2024-03-13
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (6.77 Å)
主引用文献Blueprinting extendable nanomaterials with standardized protein blocks.
Nature, 627, 2024
8V3B
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BU of 8v3b by Molmil
Computational Designed Nanocage O43_129_+4
分子名称: O43_129_+4 component A, O43_129_+4 component B
著者Carr, K.D, Weidle, C, Borst, A.J.
登録日2023-11-27
公開日2024-03-13
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (6.4 Å)
主引用文献Blueprinting extendable nanomaterials with standardized protein blocks.
Nature, 627, 2024
3U0S
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BU of 3u0s by Molmil
Crystal Structure of an Enzyme Redesigned Through Multiplayer Online Gaming: CE6
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Diisopropyl-fluorophosphatase, GLYCEROL, ...
著者Bale, J.B, Shen, B.W, Stoddard, B.L.
登録日2011-09-29
公開日2012-02-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Increased Diels-Alderase activity through backbone remodeling guided by Foldit players.
Nat.Biotechnol., 30, 2012
5WOC
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BU of 5woc by Molmil
De Novo Design of Covalently Constrained Meso-size Protein Scaffolds with Unique Tertiary Structures
分子名称: (3-methylphenyl)methanol, SER-PRO-GLU-GLU-ARG-ALA-GLN-LEU-CYS-THR-ALA-ALA-GLU-LYS-ALA-ASP-GLU-LEU-GLY
著者Wu, H, Wu, Y, DeGrado, W.F.
登録日2017-08-01
公開日2017-10-04
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7SKO
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BU of 7sko by Molmil
De novo synthetic protein DIG8-CC (orthogonal space group)
分子名称: De novo synthetic protein DIG8-CC, MAGNESIUM ION
著者Mendes, S.R, Eckhard, U, Marcos, E, Gomis-Ruth, F.X.
登録日2021-10-21
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献De novo design of immunoglobulin-like domains
Nat Commun, 13, 2022
7SKN
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BU of 7skn by Molmil
De novo synthetic protein DIG8-CC (tetragonal space group)
分子名称: De novo synthetic protein DIG8-CC
著者Mendes, S.R, Eckhard, U, Marcos, E, Gomis-Ruth, F.X.
登録日2021-10-21
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献De novo design of immunoglobulin-like domains
Nat Commun, 13, 2022
7SKP
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BU of 7skp by Molmil
De novo synthetic protein DIG14 (tetragonal space group)
分子名称: De novo synthetic protein DIG14
著者Mendes, S.R, Eckhard, U, Marcos, E, Gomis-Ruth, F.X.
登録日2021-10-21
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献De novo design of immunoglobulin-like domains
Nat Commun, 13, 2022
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
分子名称: Anti-fab nanobody, COP-2 Fab Heavy chain, COP-2 Fab Light chain, ...
著者Vecchio, A.J.
登録日2024-04-15
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (4.16 Å)
主引用文献Computational design of soluble functional analogues of integral membrane proteins
To be published
7O1D
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BU of 7o1d by Molmil
A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.7
分子名称: BH32.7 protein
著者Levy, C.W.
登録日2021-03-29
公開日2021-11-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering an efficient and enantioselective enzyme for the Morita-Baylis-Hillman reaction.
Nat.Chem., 14, 2022
8C3W
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BU of 8c3w by Molmil
Crystal structure of a computationally designed heme binding protein, dnHEM1
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
著者Ortmayer, M, Levy, C.
登録日2022-12-29
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design of Heme Enzymes with a Tunable Substrate Binding Pocket Adjacent to an Open Metal Coordination Site.
J.Am.Chem.Soc., 145, 2023
5JG9
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BU of 5jg9 by Molmil
Crystal structure of the de novo mini protein gEHEE_06
分子名称: CHLORIDE ION, GLYCEROL, de novo design, ...
著者Rupert, P.B, Johnsen, W.A.
登録日2016-04-19
公開日2016-09-28
最終更新日2016-11-02
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
4F2V
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BU of 4f2v by Molmil
Crystal Structure of de novo designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR165
分子名称: DI(HYDROXYETHYL)ETHER, DODECYL-ALPHA-D-MALTOSIDE, De novo designed serine hydrolase
著者Kuzin, A, Lew, S, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Rajagopalan, S, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2012-05-08
公開日2012-05-30
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.493 Å)
主引用文献Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
3KO2
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BU of 3ko2 by Molmil
I-MsoI re-designed for altered DNA cleavage specificity (-7C)
分子名称: 5'-D(*CP*GP*GP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*GP*TP*CP*TP*GP*C)-3', 5'-D(*GP*CP*AP*GP*AP*CP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*CP*CP*G)-3', CALCIUM ION, ...
著者Taylor, G.K, Stoddard, B.L.
登録日2009-11-13
公開日2010-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Computational reprogramming of homing endonuclease specificity at multiple adjacent base pairs.
Nucleic Acids Res., 38, 2010
6WSJ
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BU of 6wsj by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with cyclopeptide des4.3.1
分子名称: 1,2-ETHANEDIOL, Hdac6 protein, POTASSIUM ION, ...
著者Watson, P.R, Christianson, D.W.
登録日2020-05-01
公開日2021-04-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
3U43
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BU of 3u43 by Molmil
Crystal structure of the colicin E2 DNase-Im2 complex
分子名称: CALCIUM ION, Colicin-E2, Colicin-E2 immunity protein, ...
著者Wojdyla, J.A, Kleanthous, C.
登録日2011-10-07
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structure of the Ultra-High-Affinity Colicin E2 DNase-Im2 Complex.
J.Mol.Biol., 417, 2012
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)
分子名称: 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
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-03-26
公開日2022-06-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献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
分子名称: 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, ...
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-03-26
公開日2022-06-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Multivalent designed proteins neutralize SARS-CoV-2 variants of concern and confer protection against infection in mice.
Sci Transl Med, 14, 2022
4TVY
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BU of 4tvy by Molmil
Apo resorufin ligase
分子名称: 5-(3,7-dihydroxy-10H-phenoxazin-2-yl)pentanamide, Lipoate-protein ligase A
著者Goldman, P.J, Drennan, C.L.
登録日2014-06-28
公開日2014-10-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Computational design of a red fluorophore ligase for site-specific protein labeling in living cells.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TVW
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BU of 4tvw by Molmil
Resorufin ligase with bound resorufin-AMP analog
分子名称: 5'-O-{[5-(7-hydroxy-3-oxo-3H-phenoxazin-2-yl)pentanoyl]sulfamoyl}adenosine, Lipoate-protein ligase A
著者Goldman, P.J, Drennan, C.L.
登録日2014-06-28
公開日2014-10-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.505 Å)
主引用文献Computational design of a red fluorophore ligase for site-specific protein labeling in living cells.
Proc.Natl.Acad.Sci.USA, 111, 2014

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