7XEE
 
 | | Crystal Structure of the Y53F/N55A mutant of LEH complexed with 2-(3-phenyloxetan-3-yl)ethanamine | | 分子名称: | 1,2-ETHANEDIOL, 2-(3-phenyloxetan-3-yl)ethanamine, Limonene-1,2-epoxide hydrolase, ... | | 著者 | Qu, G, Li, X, Sun, Z.T. | | 登録日 | 2022-03-31 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.877 Å) | | 主引用文献 | Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles.
Nat Commun, 13, 2022
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7XCM
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6YHJ
 | | Thrombin in complex with D-Phe-Pro-2-chlorothiophen derivative (16e) | | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Sandner, A, Heine, A, Klebe, G, Collins, C. | | 登録日 | 2020-03-30 | | 公開日 | 2021-04-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Thrombin in complex with D-Phe-Pro-2-chlorothiophen derivative (16e)
To be published
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5UDY
 | | Human alkaline sphingomyelinase (alk-SMase, ENPP7, NPP7) | | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Gorelik, A, Liu, F, Illes, K, Nagar, B. | | 登録日 | 2016-12-28 | | 公開日 | 2017-03-22 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structure of the human alkaline sphingomyelinase provides insights into substrate recognition.
J. Biol. Chem., 292, 2017
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7XEF
 | | Crystal Structure of the Y53F/N55A mutant of LEH complexed with (R)-(1-benzyl-3-phenylpyrrolidin-3-yl)methanol | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Limonene-1,2-epoxide hydrolase, ... | | 著者 | Qu, G, Li, X, Sun, Z.T. | | 登録日 | 2022-03-31 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.816 Å) | | 主引用文献 | Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles.
Nat Commun, 13, 2022
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6YN3
 | | Thrombin in complex with 4-hydroxybenzamide (j89) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-HYDROXYBENZAMIDE, DIMETHYL SULFOXIDE, ... | | 著者 | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | | 登録日 | 2020-04-10 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Thrombin in complex with 4-hydroxybenzamide (j89)
To be published
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6U6U
 | | IL36R extracellular domain in complex with BI655130 Fab | | 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, BI00655130 Fab heavy chain, ... | | 著者 | Larson, E.T, Farrow, N.A. | | 登録日 | 2019-08-30 | | 公開日 | 2020-04-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | X-ray crystal structure localizes the mechanism of inhibition of an IL-36R antagonist monoclonal antibody to interaction with Ig1 and Ig2 extra cellular domains.
Protein Sci., 29, 2020
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6YMP
 | | Thrombin in complex with 3-((5-(tert-butyl)isoxazol-3-yl)methyl)oxetan-3-amine (j54) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine, DIMETHYL SULFOXIDE, ... | | 著者 | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | | 登録日 | 2020-04-09 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Thrombin in complex with 3-((5-(tert-butyl)isoxazol-3-yl)methyl)oxetan-3-amine (j54)
To be published
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6YQV
 | | Thrombin in complex with 5-chlorothiophene-2-sulfonamide (j94) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloranylthiophene-2-sulfonamide, DIMETHYL SULFOXIDE, ... | | 著者 | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | | 登録日 | 2020-04-18 | | 公開日 | 2021-04-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Thrombin in complex with 5-chlorothiophene-2-sulfonamide (j94)
To be published
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6YYI
 | | Crystal structure of beta-D-xylosidase from Dictyoglomus thermophilum bound to beta-D-xylopyranose | | 分子名称: | 1,2-ETHANEDIOL, Beta-xylosidase, CITRIC ACID, ... | | 著者 | Lafite, P, Daniellou, R, Bretagne, D. | | 登録日 | 2020-05-05 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Crystal structure of Dictyoglomus thermophilum beta-d-xylosidase DtXyl unravels the structural determinants for efficient notoginsenoside R1 hydrolysis.
Biochimie, 181, 2020
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7X5Q
 | | Apo Truncated VhChiP (Delta 1-19) in complex with peptide (DGANSDAAK) | | 分子名称: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ASP-GLY-ALA-ASN-SER-ASP, Chitoporin, ... | | 著者 | Sanram, S, Aunkham, A, Suginta, W, Robinson, R.C. | | 登録日 | 2022-03-05 | | 公開日 | 2023-03-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structure and function of truncated VhChiP
To Be Published
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7X0Z
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7XE6
 | | T4 lysozyme mutant-S44C/C54T/N68C/A93C/C97A/T115C, pH7 | | 分子名称: | Endolysin, GLYCEROL, HEXANE-1,6-DIOL, ... | | 著者 | Tamada, T, Hiromoto, T. | | 登録日 | 2022-03-30 | | 公開日 | 2023-03-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Creation of Cross-Linked Crystals With Intermolecular Disulfide Bonds Connecting Symmetry-Related Molecules Allows Retention of Tertiary Structure in Different Solvent Conditions.
Front Mol Biosci, 9, 2022
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7XEA
 | | T4 lysozyme mutant-S44C/C54T/N68C/A93C/C97A/T115C, DMSO 40%, and then backsoaking | | 分子名称: | CHLORIDE ION, Endolysin, GLYCEROL, ... | | 著者 | Tamada, T, Hiromoto, T. | | 登録日 | 2022-03-30 | | 公開日 | 2023-03-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Creation of Cross-Linked Crystals With Intermolecular Disulfide Bonds Connecting Symmetry-Related Molecules Allows Retention of Tertiary Structure in Different Solvent Conditions.
Front Mol Biosci, 9, 2022
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7X07
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7X0T
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7XE5
 | | T4 lysozyme mutant-S44C/C54T/N68C/A93C/C97A/T115C, pH4 | | 分子名称: | Endolysin, GLYCEROL, HEXANE-1,6-DIOL, ... | | 著者 | Tamada, T, Hiromoto, T. | | 登録日 | 2022-03-30 | | 公開日 | 2023-03-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Creation of Cross-Linked Crystals With Intermolecular Disulfide Bonds Connecting Symmetry-Related Molecules Allows Retention of Tertiary Structure in Different Solvent Conditions.
Front Mol Biosci, 9, 2022
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7XBE
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6UFC
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7XE9
 | | T4 lysozyme mutant-S44C/C54T/N68C/A93C/C97A/T115C, DMSO 20% | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, Endolysin, ... | | 著者 | Tamada, T, Hiromoto, T. | | 登録日 | 2022-03-30 | | 公開日 | 2023-03-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Creation of Cross-Linked Crystals With Intermolecular Disulfide Bonds Connecting Symmetry-Related Molecules Allows Retention of Tertiary Structure in Different Solvent Conditions.
Front Mol Biosci, 9, 2022
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7X1W
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6QCK
 | | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with FB262 | | 分子名称: | 17-beta-hydroxysteroid dehydrogenase 14, 2-[2-(1,3-benzodioxol-2-yl)ethyl]benzoic acid, DIMETHYL SULFOXIDE, ... | | 著者 | Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G. | | 登録日 | 2018-12-28 | | 公開日 | 2020-01-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Mutational and structural studies uncover crucial amino acids determining activity and stability of 17 beta-HSD14.
J.Steroid Biochem.Mol.Biol., 189, 2019
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4Q68
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7XEC
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7XFT
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