4JMA
| Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 3-Fluorocatechol | 分子名称: | 3-FLUOROBENZENE-1,2-DIOL, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Boyce, S.E, Fischer, M, Fish, I. | 登録日 | 2013-03-13 | 公開日 | 2013-05-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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4JM5
| Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2-Amino-5-methylthiazole | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-5-METHYLTHIAZOLE, Cytochrome c peroxidase, ... | 著者 | Boyce, S.E, Fischer, M, Fish, I, Shoichet, B.K. | 登録日 | 2013-03-13 | 公開日 | 2013-05-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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4JM9
| Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 3-amino-1-methylpyridinium | 分子名称: | 1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE, Cytochrome c peroxidase, IODIDE ION, ... | 著者 | Boyce, S.E, Fischer, M, Fish, I. | 登録日 | 2013-03-13 | 公開日 | 2013-05-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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4JQN
| Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Hydroxybenzaldehyde | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, P-HYDROXYBENZALDEHYDE, ... | 著者 | Boyce, S.E, Fischer, M, Fish, I. | 登録日 | 2013-03-20 | 公開日 | 2013-07-31 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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4JQJ
| Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Aminoquinoline | 分子名称: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Boyce, S.E, Fischer, M, Fish, I. | 登録日 | 2013-03-20 | 公開日 | 2013-07-31 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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4JM8
| Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2,6-diaminopyridine | 分子名称: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Boyce, S.E, Fischer, M, Fish, I. | 登録日 | 2013-03-13 | 公開日 | 2013-05-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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8DOA
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6V67
| Apo Structure of the De Novo PD-1 Binding Miniprotein GR918.2 | 分子名称: | PD-1 Binding Miniprotein GR918.2 | 著者 | Bick, M.J, Bryan, C.M, Baker, D, Dimaio, F, Kang, A. | 登録日 | 2019-12-04 | 公開日 | 2020-12-09 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | Computational design of a synthetic PD-1 agonist. Proc.Natl.Acad.Sci.USA, 118, 2021
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5VID
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5VLI
| Computationally designed inhibitor peptide HB1.6928.2.3 in complex with influenza hemagglutinin (A/PuertoRico/8/1934) | 分子名称: | 2,5,8,11-TETRAOXATRIDECANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Bernard, S.M, Wilson, I.A. | 登録日 | 2017-04-25 | 公開日 | 2017-09-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.799 Å) | 主引用文献 | Massively parallel de novo protein design for targeted therapeutics. Nature, 550, 2017
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5VMR
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5JG9
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5JI4
| Solution structure of the de novo mini protein gEEHE_02 | 分子名称: | W37 | 著者 | Buchko, G.W, Bahl, C.D, Pulavarti, S.V, Baker, D, Szyperski, T. | 登録日 | 2016-04-21 | 公開日 | 2016-09-28 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Accurate de novo design of hyperstable constrained peptides. Nature, 538, 2016
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5JHI
| Solution structure of the de novo mini protein gEHE_06 | 分子名称: | W35 | 著者 | Buchko, G.W, Bahl, C.D, Gilmore, J.M, Pulavarti, S.V, Baker, D, Szyperski, T. | 登録日 | 2016-04-21 | 公開日 | 2016-09-28 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Accurate de novo design of hyperstable constrained peptides. Nature, 538, 2016
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7KUW
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3GQZ
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3GTC
| AmpC beta-lactamase in complex with Fragment-based Inhibitor | 分子名称: | (1R,2S)-2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid, Beta-lactamase, PHOSPHATE ION | 著者 | Teotico, D.T, Shoichet, B.K. | 登録日 | 2009-03-27 | 公開日 | 2009-04-14 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Docking for fragment inhibitors of AmpC beta-lactamase Proc.Natl.Acad.Sci.USA, 106, 2009
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3GVB
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3GR2
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3GV9
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3GRJ
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3GSG
| AmpC beta-lactamase in complex with Fragment-based Inhibitor | 分子名称: | (2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ... | 著者 | Teotico, D.T, Shoichet, B.K. | 登録日 | 2009-03-26 | 公開日 | 2009-04-14 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Docking for fragment inhibitors of AmpC beta-lactamase Proc.Natl.Acad.Sci.USA, 106, 2009
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2ND2
| Solution structure of the de novo mini protein gHHH_06 | 分子名称: | De novo mini protein HHH_06 | 著者 | Pulavarti, S.V, Eletsky, A, Bahl, C.D, Buchko, G.W, Baker, D, Szyperski, T. | 登録日 | 2016-04-22 | 公開日 | 2016-09-21 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Accurate de novo design of hyperstable constrained peptides. Nature, 538, 2016
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2ND3
| Solution structure of the de novo mini protein gEEH_04 | 分子名称: | De novo mini protein EEH_04 | 著者 | Pulavarti, S.V, Bahl, C.D, Gilmore, J.M, Eletsky, A, Buchko, G.W, Baker, D, Szyperski, T. | 登録日 | 2016-04-22 | 公開日 | 2016-09-21 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Accurate de novo design of hyperstable constrained peptides. Nature, 538, 2016
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5KWX
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