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7JH6
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BU of 7jh6 by Molmil
De novo designed two-domain di-Zn(II) and porphyrin-binding protein
分子名称: NONAETHYLENE GLYCOL, Two-domain di-Zn(II) and porphyrin-binding protein, ZINC ION, ...
著者Schmidt, N, Liu, L, DeGrado, W.F.
登録日2020-07-20
公開日2020-12-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Allosteric cooperation in a de novo-designed two-domain protein.
Proc.Natl.Acad.Sci.USA, 117, 2020
7MGQ
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BU of 7mgq by Molmil
AICAR transformylase/IMP cyclohydrolase (ATIC) is essential for de novo purine biosynthesis and infection by Cryptococcus neoformans
分子名称: 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase, MAGNESIUM ION
著者Wizrah, M.S, Chua, S.M.H, Luo, Z, Manik, M.K, Pan, M, Whyte, J.M, Robertson, A.B, Kappler, U, Kobe, B, Fraser, J.A.
登録日2021-04-13
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献AICAR transformylase/IMP cyclohydrolase (ATIC) is essential for de novo purine biosynthesis and infection by Cryptococcus neoformans.
J.Biol.Chem., 298, 2022
2MTQ
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BU of 2mtq by Molmil
Solution Structure of a De Novo Designed Peptide that Sequesters Toxic Heavy Metals
分子名称: Designed Peptide
著者Plegaria, J.S, Zuiderweg, E.R, Stemmler, T.L, Pecoraro, V.L.
登録日2014-08-28
公開日2015-04-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Apoprotein Structure and Metal Binding Characterization of a de Novo Designed Peptide, alpha 3DIV, that Sequesters Toxic Heavy Metals.
Biochemistry, 54, 2015
3P6J
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BU of 3p6j by Molmil
Crystal structure of Symfoil-4T Permutation #3: de novo designed beta-trefoil architecture with symmetric primary structure
分子名称: de novo designed beta-trefoil architecture with symmetric primary structure
著者Blaber, M, Lee, J.
登録日2010-10-11
公開日2011-10-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Permutations study of de novo designed symmetric beta-trefoil architecture
To be Published
8AH9
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BU of 8ah9 by Molmil
De novo retro-aldolase RAbetaB-16.1
分子名称: BENZOIC ACID, RAbetaB-16.1
著者Mittl, P, Oualb Chaib, A, Hilvert, D.
登録日2022-07-21
公開日2023-08-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.747 Å)
主引用文献Design and optimization of enzymatic activity in a de novo beta-barrel scaffold.
Protein Sci., 31, 2022
6LLQ
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BU of 6llq by Molmil
Solution NMR structure of de novo Rossmann2x2 fold with most of the core mutated to valine, R2x2_VAL88
分子名称: VAL88
著者Kobayashi, N, Sugiki, T, Fujiwara, T, Koga, R, Yamamoto, M, Kosugi, T, Koga, N.
登録日2019-12-23
公開日2020-12-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Robust folding of a de novo designed ideal protein even with most of the core mutated to valine.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W40
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BU of 6w40 by Molmil
An enumerative algorithm for de novo design of proteins with diverse pocket structures
分子名称: DENOVO NTF2
著者Bera, A.K, Basanta, B, Sankaran, B, Baker, D.
登録日2020-03-09
公開日2020-04-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献An enumerative algorithm for de novo design of proteins with diverse pocket structures.
Proc.Natl.Acad.Sci.USA, 117, 2020
6Z0L
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BU of 6z0l by Molmil
Het-N2 - De novo designed three-helix heterodimer with Cysteine at the N2 position of the alpha-helix
分子名称: CADMIUM ION, Cys-N2 Strand, Positive Strand, ...
著者McEwen, A.G, Poussin-Courmontagne, P, Naudin, E.A, DeGrado, W.F, Torbeev, V.
登録日2020-05-09
公開日2021-03-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Acyl Transfer Catalytic Activity in De Novo Designed Protein with N-Terminus of alpha-Helix As Oxyanion-Binding Site.
J.Am.Chem.Soc., 143, 2021
6Z0M
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BU of 6z0m by Molmil
Het-Ncap - De novo designed three-helix heterodimer with Cysteine at the Ncap position of the alpha-helix
分子名称: Cys-Ncap strand, Positive Strand, SULFATE ION, ...
著者McEwen, A.G, Poussin-Courmontagne, P, Naudin, E.A, DeGrado, W.F, Torbeev, V.
登録日2020-05-09
公開日2021-03-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Acyl Transfer Catalytic Activity in De Novo Designed Protein with N-Terminus of alpha-Helix As Oxyanion-Binding Site.
J.Am.Chem.Soc., 143, 2021
7BEY
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BU of 7bey by Molmil
Het-N2-SO3- - De novo designed three-helix heterodimer with Cysteine S-sulfate at the N2 position of the alpha-helix
分子名称: 'Cys-N2-SO3-' Strand, 'Positive' Strand, SULFATE ION
著者McEwen, A.G, Poussin-Courmontagne, P, Naudin, E.A, DeGrado, W.F, Torbeev, V.
登録日2021-01-06
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Acyl Transfer Catalytic Activity in De Novo Designed Protein with N-Terminus of alpha-Helix As Oxyanion-Binding Site.
J.Am.Chem.Soc., 143, 2021
5L33
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BU of 5l33 by Molmil
Crystal structure of a de novo designed protein with curved beta-sheet
分子名称: denovo NTF2
著者Oberdorfer, G, Marcos, E, Basanta, B, Chidyausiku, T.M, Sankaran, B, Baker, D.
登録日2016-08-03
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
2CW1
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BU of 2cw1 by Molmil
Solution structure of the de novo-designed lambda Cro fold protein
分子名称: SN4m
著者Isogai, Y, Ito, Y, Ikeya, T, Shiro, Y, Ota, M.
登録日2005-06-15
公開日2005-12-13
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Design of lambda Cro fold: solution structure of a monomeric variant of the de novo protein.
J.Mol.Biol., 354, 2005
5TPJ
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BU of 5tpj by Molmil
Crystal structure of a de novo designed protein with curved beta-sheet
分子名称: denovo NTF2
著者Basanta, B, Oberdorfer, G, Marcos, E, Chidyausiku, T.M, Sankaran, B, Baker, D.
登録日2016-10-20
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
5TRV
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BU of 5trv by Molmil
Crystal structure of a de novo designed protein with curved beta-sheet
分子名称: DI(HYDROXYETHYL)ETHER, denovo NTF2
著者Basanta, B, Oberdorfer, G, Marcos, E, Chidyausiku, T.M, Sankaran, B, Baker, D.
登録日2016-10-27
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
5TS4
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BU of 5ts4 by Molmil
Crystal structure of a de novo designed protein with curved beta-sheet
分子名称: DI(HYDROXYETHYL)ETHER, denovo NTF2
著者Basanta, B, Oberdorfer, G, Chidyausiku, T.M, Marcos, E, Pereira, J.H, Sankaran, B, Zwart, P.H, Baker, D.
登録日2016-10-27
公開日2017-01-25
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (3.005 Å)
主引用文献Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
3V1F
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BU of 3v1f by Molmil
Crystal structure of de novo designed MID1-zinc H35E mutant
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Computational design, ...
著者Der, B.S, Machius, M, Miley, M.J, Kuhlman, B.
登録日2011-12-09
公開日2012-01-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.151 Å)
主引用文献Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
J.Am.Chem.Soc., 134, 2012
3V1C
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BU of 3v1c by Molmil
Crystal structure of de novo designed MID1-zinc
分子名称: Computational design, MID1-zinc, L(+)-TARTARIC ACID, ...
著者Der, B.S, Machius, M, Miley, M.J, Kuhlman, B.
登録日2011-12-09
公開日2012-01-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.129 Å)
主引用文献Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
J.Am.Chem.Soc., 134, 2012
3V1D
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BU of 3v1d by Molmil
Crystal structure of de novo designed MID1-cobalt
分子名称: COBALT (II) ION, Computational design, MID1-cobalt, ...
著者Der, B.S, Machius, M, Miley, M.J, Kuhlman, B.
登録日2011-12-09
公開日2012-01-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.239 Å)
主引用文献Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
J.Am.Chem.Soc., 134, 2012
3V1A
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BU of 3v1a by Molmil
Crystal structure of de novo designed MID1-apo1
分子名称: Computational design, MID1-apo1
著者Der, B.S, Machius, M, Miley, M.J, Kuhlman, B.
登録日2011-12-09
公開日2012-01-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
J.Am.Chem.Soc., 134, 2012
3V1E
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BU of 3v1e by Molmil
Crystal structure of de novo designed MID1-zinc H12E mutant
分子名称: Computational design, MID1-zinc H12E mutant, ZINC ION
著者Der, B.S, Machius, M, Miley, M.J, Kuhlman, B.
登録日2011-12-09
公開日2012-01-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.073 Å)
主引用文献Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
J.Am.Chem.Soc., 134, 2012
3V1B
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BU of 3v1b by Molmil
Crystal structure of de novo designed MID1-apo2
分子名称: Computational design, MID1-apo2, GLYCEROL
著者Der, B.S, Machius, M, Miley, M.J, Kuhlman, B.
登録日2011-12-09
公開日2012-01-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
J.Am.Chem.Soc., 134, 2012
8FBK
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BU of 8fbk by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
分子名称: KWOCA_65
著者Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
登録日2022-11-29
公開日2023-03-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBJ
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BU of 8fbj by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
分子名称: KWOCA_60
著者Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
登録日2022-11-29
公開日2023-03-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBO
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BU of 8fbo by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
分子名称: KWOCA_102
著者Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
登録日2022-11-29
公開日2023-03-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBN
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BU of 8fbn by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
分子名称: KWOCA_73
著者Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
登録日2022-11-29
公開日2023-03-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023

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