5MZO
 
 | | UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum (open conformation) | | 分子名称: | 1,2-ETHANEDIOL, 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 | Roversi, P, Caputo, A.T, Hill, J, Alonzi, D.S, Zitzmann, N. | | 登録日 | 2017-02-01 | | 公開日 | 2017-07-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.48 Å) | | 主引用文献 | Interdomain conformational flexibility underpins the activity of UGGT, the eukaryotic glycoprotein secretion checkpoint.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5N2J
 | | UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum (closed form) | | 分子名称: | 1,2-ETHANEDIOL, 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 | Roversi, P, Caputo, A.T, Hill, J, Alonzi, D.S, Zitzmann, N. | | 登録日 | 2017-02-07 | | 公開日 | 2017-07-26 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (4.4 Å) | | 主引用文献 | Interdomain conformational flexibility underpins the activity of UGGT, the eukaryotic glycoprotein secretion checkpoint.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3EQP
 | | Crystal Structure of Ack1 with compound T95 | | 分子名称: | Activated CDC42 kinase 1, CHLORIDE ION, N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide | | 著者 | Liu, J, Wang, Z, Walker, N.P.C. | | 登録日 | 2008-10-01 | | 公開日 | 2008-12-02 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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8C6P
 | | Fragment screening hit I bound to endothiapepsin | | 分子名称: | 4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile, Endothiapepsin, GLYCEROL | | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | 登録日 | 2023-01-12 | | 公開日 | 2023-05-24 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C6Q
 | | Fragment screening hit II bound to endothiapepsin | | 分子名称: | 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline, Endothiapepsin, GLYCEROL | | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | 登録日 | 2023-01-12 | | 公開日 | 2023-05-24 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C71
 | | Pyrrolidine fragment 5b bound to endothiapepsin | | 分子名称: | (3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol, Endothiapepsin, GLYCEROL | | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | 登録日 | 2023-01-12 | | 公開日 | 2023-05-24 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C72
 | | Pyrrolidine fragment 10b bound to endothiapepsin | | 分子名称: | (3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol, Endothiapepsin, GLYCEROL | | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | 登録日 | 2023-01-12 | | 公開日 | 2023-05-24 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C70
 | | Pyrrolidine fragment 1 bound to endothiapepsin | | 分子名称: | (3~{R},4~{R})-4-[4-[(5-bromanylpyridin-3-yl)oxymethyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol, Endothiapepsin | | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | 登録日 | 2023-01-12 | | 公開日 | 2023-05-24 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C74
 | | Pyrrolidine fragment 10d bound to endothiapepsin | | 分子名称: | (3~{R},4~{R})-4-[4-[(4-azanylphenoxy)methyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol, Endothiapepsin, GLYCEROL | | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | 登録日 | 2023-01-12 | | 公開日 | 2023-05-24 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C6S
 | | Fragment screening hit III bound to endothiapepsin | | 分子名称: | 4-(1,4-diazepan-1-ylsulfonyl)isoquinoline, Endothiapepsin, GLYCEROL | | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | 登録日 | 2023-01-12 | | 公開日 | 2023-05-24 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C6T
 | | Fragment screening hit IV bound to endothiapepsin | | 分子名称: | 1-[3,5-bis(chloranyl)phenoxy]propan-2-amine, Endothiapepsin, GLYCEROL | | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | 登録日 | 2023-01-12 | | 公開日 | 2023-05-24 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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3ESO
 | | Human transthyretin (TTR) complexed with N-(3,5-Dibromo-4-hydroxyphenyl)-2,5-dichlorobenzamide | | 分子名称: | 2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide, Transthyretin | | 著者 | Connelly, S, Wilson, I.A. | | 登録日 | 2008-10-06 | | 公開日 | 2009-04-07 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Toward optimization of the second aryl substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.
J.Med.Chem., 52, 2009
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3EQR
 | | Crystal Structure of Ack1 with compound T74 | | 分子名称: | Activated CDC42 kinase 1, CHLORIDE ION, N~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-N~6~-(4-piperazin-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine | | 著者 | Liu, J, Wang, Z, Walker, N.P.C. | | 登録日 | 2008-10-01 | | 公開日 | 2008-12-02 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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3ESN
 | | Human transthyretin (TTR) complexed with N-(3,5-Dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide | | 分子名称: | N-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide, Transthyretin | | 著者 | Connelly, S, Wilson, I.A. | | 登録日 | 2008-10-06 | | 公開日 | 2009-04-07 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Toward optimization of the second aryl substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.
J.Med.Chem., 52, 2009
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8HWO
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7OSA
 | | Pre-translocation complex of 80 S.cerevisiae ribosome with eEF2 and ligands | | 分子名称: | 18S rRNA, 25S rRNA, 40S ribosomal protein S0, ... | | 著者 | Djumagulov, M, Jenner, L, Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G. | | 登録日 | 2021-06-08 | | 公開日 | 2021-12-08 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Accuracy mechanism of eukaryotic ribosome translocation.
Nature, 600, 2021
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7OSM
 | | Intermediate translocation complex of 80 S.cerevisiae ribosome with eEF2 and ligands | | 分子名称: | 18S rRNA, 25S rRNA, 40S ribosomal protein S0, ... | | 著者 | Djumagulov, M, Jenner, L, Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G. | | 登録日 | 2021-06-09 | | 公開日 | 2021-12-08 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Accuracy mechanism of eukaryotic ribosome translocation.
Nature, 600, 2021
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8K2D
 | | Cryo-EM structure of the yeast 80S ribosome with tigecycline, eEF2, Stm1 and eIF5A | | 分子名称: | 18S rRNA, 23S rRNA, 40S ribosomal protein S1-A, ... | | 著者 | Buschauer, R, Beckmann, R, Cheng, J. | | 登録日 | 2023-07-12 | | 公開日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline.
Nat Commun, 15, 2024
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7BGJ
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1K4V
 | | 1.53 A Crystal Structure of the Beta-Galactoside-alpha-1,3-galactosyltransferase in Complex with UDP | | 分子名称: | GLYCEROL, MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ... | | 著者 | Boix, E, Swaminathan, G.J, Zhang, Y, Natesh, R, Brew, K, Acharya, K.R. | | 登録日 | 2001-10-09 | | 公開日 | 2002-04-10 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Structure of UDP complex of UDP-galactose:beta-galactoside-alpha -1,3-galactosyltransferase at 1.53-A resolution reveals a conformational change in the catalytically important C terminus.
J.Biol.Chem., 276, 2001
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7NUV
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5JYE
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7P4L
 | | Crystal structure of the trimeric ectodomain of archaeal Fusexin1 (Fsx1) | | 分子名称: | CALCIUM ION, CHLORIDE ION, Fusexin1, ... | | 著者 | Nishio, S, Tunyasuvunakool, K, Jumper, J, De Sanctis, D, Jovine, L. | | 登録日 | 2021-07-12 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of archaeal fusexins homologous to eukaryotic HAP2/GCS1 gamete fusion proteins.
Nat Commun, 13, 2022
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7POI
 | | Prodomain bound BMP10 crystal form 1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 10, D(-)-TARTARIC ACID | | 著者 | Guo, J, Yu, M, Li, W. | | 登録日 | 2021-09-09 | | 公開日 | 2022-05-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
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7POJ
 | | Prodomain bound BMP10 crystal form 2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 10, TETRAETHYLENE GLYCOL | | 著者 | Guo, J, Yu, M, Li, W. | | 登録日 | 2021-09-09 | | 公開日 | 2022-05-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
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