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1UJZ
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BU of 1ujz by Molmil
Crystal structure of the E7_C/Im7_C complex; a computationally designed interface between the colicin E7 DNase and the Im7 Immunity protein
分子名称: Designed Colicin E7 DNase, Designed Colicin E7 immunity protein
著者Kortemme, T, Joachimiak, L.A, Bullock, A.N, Schuler, A.D, Stoddard, B.L, Baker, D.
登録日2003-08-13
公開日2004-04-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Computational redesign of protein-protein interaction specificity
NAT.STRUCT.MOL.BIOL., 11, 2004
6UAD
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BU of 6uad by Molmil
Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, Ketosteroid isomerase with truncated and designed loop, PHOSPHATE ION
著者Kundert, K, Thompson, M.C, Liu, L, Fraser, J.S, Kortemme, T.
登録日2019-09-10
公開日2020-09-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38
To Be Published
2ERH
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BU of 2erh by Molmil
Crystal Structure of the E7_G/Im7_G complex; a designed interface between the colicin E7 DNAse and the Im7 immunity protein
分子名称: Colicin E7, Colicin E7 immunity protein
著者Joachimiak, L.A, Kortemme, T, Stoddard, B.L, Baker, D.
登録日2005-10-24
公開日2006-07-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Computational Design of a New Hydrogen Bond Network and at Least a 300-fold Specificity Switch at a Protein-Protein Interface.
J.Mol.Biol., 361, 2006
6OB5
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BU of 6ob5 by Molmil
Computationally-designed, modular sense/response system (S3-2D)
分子名称: Ankyrin Repeat Domain (AR), S3-2D variant, FARNESYL DIPHOSPHATE, ...
著者Thompson, M.C, Glasgow, A.A, Huang, Y.M, Fraser, J.S, Kortemme, T.
登録日2019-03-19
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.208 Å)
主引用文献Computational design of a modular protein sense-response system.
Science, 366, 2019
4HOP
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BU of 4hop by Molmil
Crystal structure of the computationally designed NNOS-Syntrophin complex
分子名称: Alpha-1-syntrophin, Nitric oxide synthase, brain
著者Harwood, I.M, Melero, C, Ollikainen, N, Kortemme, T.
登録日2012-10-22
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Quantification of the transferability of a designed protein specificity switch reveals extensive epistasis in molecular recognition.
Proc.Natl.Acad.Sci.USA, 111, 2014
1PVH
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BU of 1pvh by Molmil
Crystal structure of leukemia inhibitory factor in complex with gp130
分子名称: IODIDE ION, Interleukin-6 receptor beta chain, Leukemia inhibitory factor
著者Boulanger, M.J, Bankovich, A.J, Kortemme, T, Baker, D, Garcia, K.C.
登録日2003-06-27
公開日2003-10-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Convergent mechanisms for recognition of divergent cytokines by the shared signaling receptor gp130.
Mol.Cell, 12, 2003
3QBV
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BU of 3qbv by Molmil
Structure of designed orthogonal interaction between CDC42 and nucleotide exchange domains of intersectin
分子名称: Cell division control protein 42 homolog, GUANOSINE-5'-DIPHOSPHATE, Intersectin-1
著者Kapp, G.T, Remenyi, A, Lim, W.A, Kortemme, T.
登録日2011-01-14
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Control of protein signaling using a computationally designed GTPase/GEF orthogonal pair.
Proc.Natl.Acad.Sci.USA, 109, 2012
1MOW
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BU of 1mow by Molmil
E-DreI
分子名称: 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, ...
著者Chevalier, B.S, Kortemme, T, Chadsey, M.S, Baker, D, Monnat Jr, R.J, Stoddard, B.L.
登録日2002-09-10
公開日2002-11-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
分子名称: NKG2-D type II integral membrane protein, PHOSPHATE ION
著者McFarland, B.J, Kortemme, T, Baker, D, Strong, R.K.
登録日2002-09-12
公開日2003-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Symmetry Recognizing Asymmetry: Analysis of the Interactions between the C-Type Lectin-like Immunoreceptor NKG2D and MHC Class I-like Ligands
Structure, 11, 2003
2II0
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BU of 2ii0 by Molmil
Crystal Structure of catalytic domain of Son of sevenless (Rem-Cdc25) in the absence of Ras
分子名称: Son of sevenless homolog 1
著者Freedman, T.S, Sondermann, H, Friedland, G.D, Kortemme, T, Bar-Sagi, D, Marqusee, S, Kuriyan, J.
登録日2006-09-27
公開日2006-10-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献A Ras-induced conformational switch in the Ras activator Son of sevenless.
Proc.Natl.Acad.Sci.Usa, 103, 2006
6UAE
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BU of 6uae by Molmil
Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, EQUILENIN, Ketosteroid isomerase with designed loop, ...
著者Krivacic, C, Kundert, K, Thompson, M.C, Fraser, J.S, Kortemme, T.
登録日2019-09-10
公開日2020-09-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38
To Be Published
6VG7
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BU of 6vg7 by Molmil
De novo designed Rossmann fold protein ROS2_49223
分子名称: De novo designed protein RO2_25
著者Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
登録日2020-01-07
公開日2020-08-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
6VGA
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BU of 6vga by Molmil
De novo designed Rossmann fold protein ROS2_835
分子名称: De novo designed protein RO2_1
著者Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
登録日2020-01-07
公開日2020-08-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
6VGB
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BU of 6vgb by Molmil
De novo designed Rossmann fold protein ROS2_36830
分子名称: De novo designed protein RO2_20
著者Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
登録日2020-01-07
公開日2020-08-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
6W90
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BU of 6w90 by Molmil
De novo designed NTF2 fold protein NT-9
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, NTF2 fold protein loop-helix-loop design NT-9
著者Thompson, M.C, Pan, X, Liu, L, Fraser, J.S, Kortemme, T.
登録日2020-03-21
公開日2020-08-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
5WDO
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BU of 5wdo by Molmil
H-Ras bound to GMP-PNP at 277K
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Cofsky, J.C, Bandaru, P, Gee, C.L, Kuriyan, J.
登録日2017-07-05
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
7KDT
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BU of 7kdt by Molmil
Human Tom70 in complex with SARS CoV2 Orf9b
分子名称: Mitochondrial import receptor subunit TOM70, ORF9b protein
著者QCRG Structural Biology Consortium
登録日2020-10-09
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Comparative host-coronavirus protein interaction networks reveal pan-viral disease mechanisms.
Science, 370, 2020
8DV1
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BU of 8dv1 by Molmil
SARS-CoV-2 Wuhan-hu-1-Spike-RBD bound to linker variant of affinity matured ACE2 mimetic CVD432
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Immunoglobulin gamma-1 heavy chain fusion,Immunoglobulin gamma-1 heavy chain, Spike glycoprotein
著者QCRG Structural Biology Consortium, Remesh, S.G, Merz, G.E, Brilot, A.F, Chio, U, Verba, K.A.
登録日2022-07-27
公開日2022-08-31
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Computational pipeline provides mechanistic understanding of Omicron variant of concern neutralizing engineered ACE2 receptor traps.
Structure, 31, 2023
8DV2
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BU of 8dv2 by Molmil
SARS-CoV-2 Wuhan-hu-1-Spike-RBD bound to computationally engineered ACE2 mimetic CVD293
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Immunoglobulin gamma-1 heavy chain fusion, Spike glycoprotein
著者QCRG Structural Biology Consortium, Remesh, S.G, Merz, G.E, Brilot, A.F, Chio, U, Verba, K.A.
登録日2022-07-27
公開日2022-08-31
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Computational pipeline provides mechanistic understanding of Omicron variant of concern neutralizing engineered ACE2 receptor traps.
Structure, 31, 2023
1YVB
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BU of 1yvb by Molmil
the Plasmodium falciparum Cysteine Protease Falcipain-2
分子名称: Cystatin, GLYCEROL, falcipain 2
著者Wang, S.X.
登録日2005-02-15
公開日2006-03-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for unique mechanisms of folding and hemoglobin binding by a malarial protease.
Proc.Natl.Acad.Sci.Usa, 103, 2006
3SOA
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BU of 3soa by Molmil
Full-length human CaMKII
分子名称: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Calcium/calmodulin-dependent protein kinase type II subunit alpha with a beta 7 linker
著者Chao, L.H, Kuriyan, J.
登録日2011-06-30
公開日2011-08-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.5501 Å)
主引用文献A Mechanism for Tunable Autoinhibition in the Structure of a Human Ca(2+)/Calmodulin- Dependent Kinase II Holoenzyme.
Cell(Cambridge,Mass.), 146, 2011
2IJE
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BU of 2ije by Molmil
Crystal Structure of the Cdc25 domain of RasGRF1
分子名称: GLYCEROL, Guanine nucleotide-releasing protein
著者Freedman, T.S, Kuriyan, J.
登録日2006-09-29
公開日2006-10-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Ras-induced conformational switch in the Ras activator Son of sevenless.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2KN5
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BU of 2kn5 by Molmil
A Correspondence Between Solution-State Dynamics of an Individual Protein and the Sequence and Conformational Diversity of its Family
分子名称: Ubiquitin
著者Friedland, G.D.
登録日2009-08-14
公開日2009-11-17
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A correspondence between solution-state dynamics of an individual protein and the sequence and conformational diversity of its family.
PLOS COMPUT.BIOL., 5, 2009
2P1Y
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BU of 2p1y by Molmil
1.B2.D9, a bispecific alpha/beta TCR
分子名称: bispecific alpha/beta TCR
著者McBeth, C, Pizarro, J.C, Strong, R.K.
登録日2007-03-06
公開日2008-02-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献A new twist in TCR diversity revealed by a forbidden alphabeta TCR.
J.Mol.Biol., 375, 2008
2P24
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BU of 2p24 by Molmil
I-Au/MBP125-135
分子名称: H-2 class II histocompatibility antigen, A-U alpha chain, A-U beta chain
著者McBeth, C, Strong, R.K.
登録日2007-03-06
公開日2008-01-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A new twist in TCR diversity revealed by a forbidden alphabeta TCR.
J.Mol.Biol., 375, 2008

 

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