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7KL9
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BU of 7kl9 by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with the ACE2 protein decoy, CTC-445.2 (State 4)
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, CTC-445.2 inhibitor, ...
著者Barnes, C.O, Bjorkman, P.J.
登録日2020-10-29
公開日2020-11-11
最終更新日2020-12-16
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献De novo design of potent and resilient hACE2 decoys to neutralize SARS-CoV-2.
Science, 370, 2020
7QDK
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BU of 7qdk by Molmil
A trimeric de novo coiled-coil assembly: CC-TypeN-LaLd
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CC-TypeN-LaLd, GLYCEROL, ...
著者Kumar, P, Paterson, N.G, Woolfson, D.N.
登録日2021-11-27
公開日2022-04-27
最終更新日2022-07-27
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献De novo design of discrete, stable 3 10 -helix peptide assemblies.
Nature, 607, 2022
1O81
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BU of 1o81 by Molmil
Tryparedoxin II from C.fasciculata solved by sulphur phasing
分子名称: SULFATE ION, TRYPAREDOXIN II
著者Leonard, G.A, Micossi, E, Hunter, W.N.
登録日2002-11-21
公開日2002-12-19
最終更新日2019-10-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献De Novo Phasing of Two Crystal Forms of Tryparedoxin II Using the Anomalous Scattering from S Atoms: A Combination of Small Signal and Medium Resolution Reveals This to be a General Tool for Solving Protein Crystal Structures
Acta Crystallogr.,Sect.D, 58, 2002
7JZN
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BU of 7jzn by Molmil
SARS-CoV-2 spike in complex with LCB3 (2RBDs open)
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, LCB3, ...
著者Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-02
公開日2020-09-23
最終更新日2020-11-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
Science, 370, 2020
7JZM
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BU of 7jzm by Molmil
SARS-CoV-2 spike in complex with LCB3 (local refinement of the RBD and LCB3)
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, LCB3, Spike glycoprotein
著者Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-02
公開日2020-09-23
最終更新日2020-11-04
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
Science, 370, 2020
1O6J
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BU of 1o6j by Molmil
Tryparedoxin II from C.fasciculata solved by sulphur phasing
分子名称: TRYPAREDOXIN II
著者Leonard, G.A, Micossi, E, Hunter, W.N.
登録日2002-10-04
公開日2002-11-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献De Novo Phasing of Two Crystal Forms of Tryparedoxin II Using the Anomalous Scattering from S Atoms: A Combination of Small Signal and Medium Resolution Reveals This to be a General Tool for Solving Protein Crystal Structures
Acta Crystallogr.,Sect.D, 58, 2002
7JZL
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BU of 7jzl by Molmil
SARS-CoV-2 spike in complex with LCB1 (2RBDs open)
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, LCB1, ...
著者Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-02
公開日2020-09-23
最終更新日2020-11-04
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
Science, 370, 2020
7XZR
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BU of 7xzr by Molmil
Crystal structure of TNIK-AMPPNP-thiopeptide TP15 complex
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
著者Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T.
登録日2022-06-03
公開日2022-10-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors.
J.Am.Chem.Soc., 144, 2022
7XZQ
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BU of 7xzq by Molmil
Crystal structure of TNIK-thiopeptide TP1 complex
分子名称: 1,4-BUTANEDIOL, TRAF2 and NCK-interacting protein kinase, thiopeptide TP1
著者Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T.
登録日2022-06-03
公開日2022-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors.
J.Am.Chem.Soc., 144, 2022
1Z70
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BU of 1z70 by Molmil
1.15A resolution structure of the formylglycine generating enzyme FGE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, C-alpha-formyglycine-generating enzyme, ...
著者Rudolph, M.G.
登録日2005-03-23
公開日2005-07-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献De novo calcium/sulfur SAD phasing of the human formylglycine-generating enzyme using in-house data.
Acta Crystallogr.,Sect.D, 61, 2005
8URE
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BU of 8ure by Molmil
CryoEM Structure of Allosterically Switchable De Novo Protein sr312, in Open State with Effector Peptide
分子名称: Effector peptide cs221B, sr312
著者Weidle, C, Skotheim, R.
登録日2023-10-25
公開日2024-08-14
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献De novo design of allosterically switchable protein assemblies
Nature
3C9V
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BU of 3c9v by Molmil
C7 Symmetrized Structure of Unliganded GroEL at 4.7 Angstrom Resolution from CryoEM
分子名称: 60 kDa chaperonin
著者Ludtke, S.J, Baker, M.L, Chen, D.H, Song, J.L, Chuang, D, Chiu, W.
登録日2008-02-18
公開日2008-09-02
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献De Novo Backbone Trace of GroEL from Single Particle Electron Cryomicroscopy.
Structure, 16, 2008
3CAU
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BU of 3cau by Molmil
D7 symmetrized structure of unliganded GroEL at 4.2 Angstrom resolution by cryoEM
分子名称: 60 kDa chaperonin
著者Ludtke, S.J, Baker, M.L, Chen, D.H, Song, J.L, Chuang, D, Chiu, W.
登録日2008-02-20
公開日2008-09-02
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献De Novo Backbone Trace of GroEL from Single Particle Electron Cryomicroscopy.
Structure, 16, 2008
6MSQ
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BU of 6msq by Molmil
Crystal structure of pRO-2.3
分子名称: pRO-2.3
著者Boyken, S.E, Sankaran, B, Bick, M.J, Baker, D.
登録日2018-10-17
公開日2019-05-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献De novo design of tunable, pH-driven conformational changes.
Science, 364, 2019
6MSR
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BU of 6msr by Molmil
Crystal structure of pRO-2.5
分子名称: pRO-2.5
著者Bick, M.J, Sankaran, B, Boyken, S.E, Baker, D.
登録日2018-10-17
公開日2019-05-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献De novo design of tunable, pH-driven conformational changes.
Science, 364, 2019
6E9X
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BU of 6e9x by Molmil
DHF91 filament
分子名称: DHF91 filament
著者Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
登録日2018-08-01
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献De novo design of self-assembling helical protein filaments.
Science, 362, 2018
6CZI
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BU of 6czi by Molmil
Structure of a redesigned beta barrel, mFAP1, bound to DFHBI
分子名称: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP1
著者Doyle, L.A, Stoddard, B.L.
登録日2018-04-09
公開日2018-09-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6CZH
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BU of 6czh by Molmil
Structure of a redesigned beta barrel, mFAP0, bound to DFHBI
分子名称: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP0
著者Doyle, L.A, Stoddard, B.L.
登録日2018-04-09
公開日2018-09-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
8OYS
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BU of 8oys by Molmil
De novo designed TIM barrel fold TBF_24
分子名称: CHLORIDE ION, De novo designed TIM-barrel
著者Pacesa, M, Correia, B.E.
登録日2023-05-05
公開日2023-10-18
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Computational design of soluble and functional membrane protein analogues.
Nature, 631, 2024
8OYY
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BU of 8oyy by Molmil
De novo designed soluble GPCR-like fold GLF_32
分子名称: CHLORIDE ION, De novo designed soluble GPCR-like protein, POTASSIUM ION
著者Pacesa, M, Correia, B.E.
登録日2023-05-05
公開日2023-10-18
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Computational design of soluble and functional membrane protein analogues.
Nature, 631, 2024
6CZG
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BU of 6czg by Molmil
Structure of a redesigned beta barrel, b11L5F_LGL
分子名称: b11L5F_LGL
著者Doyle, L.A, Stoddard, B.L.
登録日2018-04-09
公開日2018-09-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6CZJ
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BU of 6czj by Molmil
Structure of a redesigned beta barrel, b10
分子名称: SULFATE ION, b10
著者Doyle, L.A, Stoddard, B.L.
登録日2018-04-09
公開日2018-09-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
8J98
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BU of 8j98 by Molmil
A near-infrared fluorescent protein of de novo backbone design
分子名称: 3-[5-[[(3~{R},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, FORMIC ACID, GLYCEROL, ...
著者Hu, X, Xu, Y.
登録日2023-05-02
公開日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献De novo backbone design for monomerization of near-infrared fluorescent protein
To Be Published
6TWB
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BU of 6twb by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XIa in Complex with Double Bridged Peptide F19
分子名称: AMMONIUM ION, Coagulation factor XI, Double Bridged Peptide F19
著者Kong, X.D, Pojer, F, Heinis, C.
登録日2020-01-13
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献De novo development of proteolytically resistant therapeutic peptides for oral administration.
Nat Biomed Eng, 4, 2020
6TWC
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BU of 6twc by Molmil
Crystal Structure of the Catalytic Domain of the Coagulation Factor XIa in Complex with Double Bridged Peptide F21
分子名称: ACETONE, Coagulation factor XI, Double Bridged Peptide F21
著者Kong, X.D, Pojer, F, Heinis, C.
登録日2020-01-13
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献De novo development of proteolytically resistant therapeutic peptides for oral administration.
Nat Biomed Eng, 4, 2020

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