7MGQ
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![BU of 7mgq by Molmil](/molmil-images/mine/7mgq) | 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
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8R8N
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8R8O
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![BU of 8r8o by Molmil](/molmil-images/mine/8r8o) | Hallucinated de novo TIM barrel with three helical extensions - HalluTIM3-1 | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | 著者 | Beck, J, Shanmugaratnam, S, Hocker, B. | 登録日 | 2023-11-29 | 公開日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Diversifying de novo TIM barrels by hallucination. Protein Sci., 33, 2024
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3P6J
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2MTQ
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![BU of 2mtq by Molmil](/molmil-images/mine/2mtq) | 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
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6W40
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6LLQ
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![BU of 6llq by Molmil](/molmil-images/mine/6llq) | 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
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5TS4
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![BU of 5ts4 by Molmil](/molmil-images/mine/5ts4) | 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
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5TPJ
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![BU of 5tpj by Molmil](/molmil-images/mine/5tpj) | 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
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5TRV
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![BU of 5trv by Molmil](/molmil-images/mine/5trv) | 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
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6Z0L
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![BU of 6z0l by Molmil](/molmil-images/mine/6z0l) | 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
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6Z0M
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![BU of 6z0m by Molmil](/molmil-images/mine/6z0m) | 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
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3VJF
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![BU of 3vjf by Molmil](/molmil-images/mine/3vjf) | Crystal structure of de novo 4-helix bundle protein WA20 | 分子名称: | POTASSIUM ION, WA20 | 著者 | Arai, R, Kimura, A, Kobayashi, N, Matsuo, K, Sato, T, Wang, A.F, Platt, J.M, Bradley, L.H, Hecht, M.H. | 登録日 | 2011-10-18 | 公開日 | 2012-03-28 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Domain-swapped dimeric structure of a stable and functional de novo four-helix bundle protein, WA20 J.Phys.Chem.B, 116, 2012
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7BEY
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![BU of 7bey by Molmil](/molmil-images/mine/7bey) | 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
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5L33
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![BU of 5l33 by Molmil](/molmil-images/mine/5l33) | 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
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2CW1
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![BU of 2cw1 by Molmil](/molmil-images/mine/2cw1) | 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
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8CCR
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![BU of 8ccr by Molmil](/molmil-images/mine/8ccr) | |
3PBJ
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![BU of 3pbj by Molmil](/molmil-images/mine/3pbj) | Hydrolytic catalysis and structural stabilization in a designed metalloprotein | 分子名称: | CHLORIDE ION, COIL SER L9L-Pen L23H, MERCURY (II) ION, ... | 著者 | Zastrow, M.L, Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L. | 登録日 | 2010-10-20 | 公開日 | 2011-11-30 | 最終更新日 | 2022-05-04 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Hydrolytic catalysis and structural stabilization in a designed metalloprotein. Nat Chem, 4, 2012
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6W3W
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![BU of 6w3w by Molmil](/molmil-images/mine/6w3w) | An enumerative algorithm for de novo design of proteins with diverse pocket structures | 分子名称: | DENOVO NTF2, NITRATE ION | 著者 | Bera, A.K, Basanta, B, Dimaio, F, 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 (1.55 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
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3V1A
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![BU of 3v1a by Molmil](/molmil-images/mine/3v1a) | 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
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3V1E
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![BU of 3v1e by Molmil](/molmil-images/mine/3v1e) | 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
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3V1C
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![BU of 3v1c by Molmil](/molmil-images/mine/3v1c) | 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
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3V1D
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![BU of 3v1d by Molmil](/molmil-images/mine/3v1d) | 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
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3V1F
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![BU of 3v1f by Molmil](/molmil-images/mine/3v1f) | 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
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3V1B
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![BU of 3v1b by Molmil](/molmil-images/mine/3v1b) | 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
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