2V6K
 
 | | Structure of Maleyl Pyruvate Isomerase, a bacterial glutathione-s- transferase in Zeta class, in complex with substrate analogue dicarboxyethyl glutathione | | 分子名称: | ACETATE ION, GAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINE, MALEYLPYRUVATE ISOMERASE, ... | | 著者 | Shoemark, D.K, Zhou, N.-Y, Williams, P.A, Hadfield, A.T. | | 登録日 | 2007-07-19 | | 公開日 | 2008-07-22 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Structure of Bacterial Glutathione-S-Transferase Maleyl Pyruvate Isomerase and Implications for Mechanism of Isomerisation.
J.Mol.Biol., 384, 2008
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2JL4
 | | Holo structure of Maleyl Pyruvate Isomerase, a bacterial glutathione- s-transferase in Zeta class | | 分子名称: | GLUTATHIONE, MALEYLPYRUVATE ISOMERASE | | 著者 | Shoemark, D.K, Y Zhou, N, Williams, P.A, Hadfield, A.T. | | 登録日 | 2008-09-04 | | 公開日 | 2008-09-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of Bacterial Glutathione-S-Transferase Maleyl Pyruvate Isomerase and Implications for Mechanism of Isomerisation.
J.Mol.Biol., 384, 2008
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4CRP
 | | Solution structure of a TrkAIg2 domain construct for use in drug discovery | | 分子名称: | HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR | | 著者 | Shoemark, D.K, Fahey, M, Williams, C, Sessions, R.B, Crump, M.P, Allen-Birt, S.J. | | 登録日 | 2014-02-28 | | 公開日 | 2015-01-14 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Design and Nuclear Magnetic Resonance (NMR) Structure Determination of the Second Extracellular Immunoglobulin Tyrosine Kinase a (Trkaig2) Domain Construct for Binding Site Elucidation in Drug Discovery
J.Med.Chem., 58, 2015
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4CUJ
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6YWZ
 | | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | | 分子名称: | 2-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid, ARGININE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Lian, L.J, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. | | 登録日 | 2020-04-30 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation.
Chem Sci, 12, 2021
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6YX0
 | | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | | 分子名称: | 4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]methyl]benzoic acid, PWQ-THR-ARG-LEU, SH3 and multiple ankyrin repeat domains protein 1 | | 著者 | Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. | | 登録日 | 2020-04-30 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation.
Chem Sci, 12, 2021
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6YX2
 | | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | | 分子名称: | 4-[[(~{E})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid, PWW-THR-ARG-LEU, SH3 and multiple ankyrin repeat domains protein 1 | | 著者 | Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Lian, L.J, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. | | 登録日 | 2020-04-30 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation.
Chem Sci, 12, 2021
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6YX1
 | | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | | 分子名称: | 2-[[2-(5-oxidanylidenepentanoyl)hydrazinyl]methyl]benzoic acid, ARGININE, LEUCINE, ... | | 著者 | Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Lian, L.J, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. | | 登録日 | 2020-04-30 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation.
Chem Sci, 12, 2021
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7JJC
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7ODL
 | | SARS CoV-2 Spike protein, Bristol UK Deletion variant, Closed conformation, C1 symmetry | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein | | 著者 | Toelzer, C, Gupta, K, Yadav, S.K.N, Borucu, U, Schaffitzel, C, Berger, I. | | 登録日 | 2021-04-29 | | 公開日 | 2022-01-26 | | 実験手法 | ELECTRON MICROSCOPY (3.03 Å) | | 主引用文献 | Structural insights in cell-type specific evolution of intra-host diversity by SARS-CoV-2.
Nat Commun, 13, 2022
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7OD3
 | | SARS CoV-2 Spike protein, Bristol UK Deletion variant, Closed conformation, C3 symmetry | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein | | 著者 | Toelzer, C, Gupta, K, Yadav, S.K.N, Borucu, U, Schaffitzel, C, Berger, I. | | 登録日 | 2021-04-28 | | 公開日 | 2022-01-26 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structural insights in cell-type specific evolution of intra-host diversity by SARS-CoV-2.
Nat Commun, 13, 2022
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4CUK
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6ZB5
 | | SARS CoV-2 Spike protein, Closed conformation, C3 symmetry | | 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, LINOLEIC ACID, ... | | 著者 | Toelzer, C, Gupta, K, Yadav, S.K.N, Burucu, U, Schaffitzel, C, Berger, I. | | 登録日 | 2020-06-07 | | 公開日 | 2020-09-30 | | 最終更新日 | 2020-11-18 | | 実験手法 | ELECTRON MICROSCOPY (2.85 Å) | | 主引用文献 | Free fatty acid binding pocket in the locked structure of SARS-CoV-2 spike protein.
Science, 370, 2020
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6ZB4
 | | SARS CoV-2 Spike protein, Closed conformation, C1 symmetry | | 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, LINOLEIC ACID, ... | | 著者 | Toelzer, C, Gupta, K, Yadav, S.K.N, Burucu, U, Schaffitzel, C, Berger, I. | | 登録日 | 2020-06-06 | | 公開日 | 2020-09-30 | | 最終更新日 | 2020-11-18 | | 実験手法 | ELECTRON MICROSCOPY (3.03 Å) | | 主引用文献 | Free fatty acid binding pocket in the locked structure of SARS-CoV-2 spike protein.
Science, 370, 2020
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7A00
 | | Crystal structure of Shank1 PDZ in complex with L6F mutant of the C-terminal hexapeptide from GKAP | | 分子名称: | L6F mutant of C-terminal hexapeptide from Guanylate kinase-associated protein, SH3 and multiple ankyrin repeat domains protein 1 | | 著者 | Zsofia, H, Hetherington, K, Fruzsina, H, Edwards, T.A, Wilson, A.J. | | 登録日 | 2020-08-05 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Query-guided protein-protein interaction inhibitor discovery.
Chem Sci, 12, 2021
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