4UR8
| Crystal structure of keto-deoxy-D-galactarate dehydratase complexed with 2-oxoadipic acid | 分子名称: | 2-OXOADIPIC ACID, FORMIC ACID, KETO-DEOXY-D-GALACTARATE DEHYDRATASE | 著者 | Taberman, H, Parkkinen, T, Hakulinen, N, Rouvinen, J. | 登録日 | 2014-06-26 | 公開日 | 2014-12-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.097 Å) | 主引用文献 | Structure and Function of a Decarboxylating Agrobacterium Tumefaciens Keto-Deoxy-D-Galactarate Dehydratase. Biochemistry, 53, 2014
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6FHD
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4UR7
| Crystal structure of keto-deoxy-D-galactarate dehydratase complexed with pyruvate | 分子名称: | FORMIC ACID, GLYCEROL, KETO-DEOXY-D-GALACTARATE DEHYDRATASE | 著者 | Taberman, H, Parkkinen, T, Hakulinen, N, Rouvinen, J. | 登録日 | 2014-06-26 | 公開日 | 2014-12-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.499 Å) | 主引用文献 | Structure and Function of a Decarboxylating Agrobacterium Tumefaciens Keto-Deoxy-D-Galactarate Dehydratase. Biochemistry, 53, 2014
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8G62
| Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004 | 分子名称: | 3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide, ACETATE ION, CHLORIDE ION, ... | 著者 | Osipiuk, J, Tesar, C, Endres, M, Jedrzejczak, R, Luci, D, Kales, S, Simeonov, A, Rai, G, Drayman, N, Tay, S, Oakes, S, Rosner, M, Chen, B, Dulin, N, Solway, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | 登録日 | 2023-02-14 | 公開日 | 2023-02-22 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004 To Be Published
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7PLD
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7PLB
| Caulobacter crescentus xylonolactonase with D-xylose | 分子名称: | FE (II) ION, SULFATE ION, Smp-30/Cgr1 family protein, ... | 著者 | Paakkonen, J, Hakulinen, N, Rouvinen, J. | 登録日 | 2021-08-30 | 公開日 | 2021-11-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Three-dimensional structure of xylonolactonase from Caulobacter crescentus: A mononuclear iron enzyme of the 6-bladed beta-propeller hydrolase family. Protein Sci., 31, 2022
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7PLC
| Caulobacter crescentus xylonolactonase with D-xylose, P21 space group | 分子名称: | FE (II) ION, SULFATE ION, Smp-30/Cgr1 family protein, ... | 著者 | Paakkonen, J, Hakulinen, N, Rouvinen, J. | 登録日 | 2021-08-30 | 公開日 | 2021-11-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Three-dimensional structure of xylonolactonase from Caulobacter crescentus: A mononuclear iron enzyme of the 6-bladed beta-propeller hydrolase family. Protein Sci., 31, 2022
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6XYC
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4R1E
| Crystal Structure of MTIP from Plasmodium falciparum in complex with a peptide-fragment chimera | 分子名称: | 5-{[(2-aminoethyl)sulfanyl]methyl}furan-2-carbaldehyde, Myosin A tail domain interacting protein, Myosin-A | 著者 | Douse, C.H, Vrielink, N, Cota, E, Tate, E.W. | 登録日 | 2014-08-05 | 公開日 | 2014-11-12 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Targeting a Dynamic Protein-Protein Interaction: Fragment Screening against the Malaria Myosin A Motor Complex. Chemmedchem, 10, 2015
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6NZ8
| Structure of carbamylated apo OXA-231 carbapenemase | 分子名称: | Beta-lactamase OXA-231, CHLORIDE ION, SODIUM ION | 著者 | Favaro, D.C, Llontop, E.E, Vasconcelos, F.N, Antunes, V.U, Farah, S.C, Lincopan, N. | 登録日 | 2019-02-13 | 公開日 | 2020-02-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Importance of the beta 5-beta 6 Loop for the Structure, Catalytic Efficiency, and Stability of Carbapenem-Hydrolyzing Class D beta-Lactamase Subfamily OXA-143. Biochemistry, 58, 2019
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8C3D
| Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections | 分子名称: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, CALCIUM ION, Cathepsin K | 著者 | Loboda, J, Karnicar, K, Lindic, N, Usenik, A, Lieske, J, Meents, A, Guenther, S, Reinke, P.Y.A, Falke, S, Ewert, W, Turk, D. | 登録日 | 2022-12-23 | 公開日 | 2023-09-27 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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5J85
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5J83
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5J84
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6TKX
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6Z9J
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8RIJ
| Discovery of the first orally bioavailable ADAMTS7 inhibitor BAY-9835 | 分子名称: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Schafer, M, Meibom, D, Wasnaire, P, Beyer, K, Broehl, A, Cancho-Grande, Y, Elowe, N, Henninger, K, Johannes, S, Jungmann, N, Krainz, T, Lindner, N, Maassen, S, MacDonald, B, Menshykau, D, Mittendorf, J, Sanchez, G, Stefan, E, Torge, A, Xing, Y, Zubov, D. | 登録日 | 2023-12-18 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | BAY-9835: Discovery of the First Orally Bioavailable ADAMTS7 Inhibitor. J.Med.Chem., 67, 2024
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7QKB
| Crystal structure of human Cathepsin L in complex with covalently bound GC376 | 分子名称: | CHLORIDE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | 登録日 | 2021-12-17 | 公開日 | 2022-12-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7QKA
| Crystal structure of SARS-CoV-2 Main Protease in complex with covalently bound GC376 | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | 登録日 | 2021-12-17 | 公開日 | 2022-12-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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6ZSH
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6ZSI
| The mechanism of activation of the actin binding protein EHBP1 by Rab8 family members. | 分子名称: | DI(HYDROXYETHYL)ETHER, EH domain-binding protein 1, MAGNESIUM ION, ... | 著者 | Rai, A, Bleimling, N, Vetter, I.R, Goody, R.S. | 登録日 | 2020-07-15 | 公開日 | 2020-09-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.914 Å) | 主引用文献 | The mechanism of activation of the actin binding protein EHBP1 by Rab8 family members. Nat Commun, 11, 2020
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6ZSJ
| The mechanism of activation of the actin binding protein EHBP1 by Rab8 family members. | 分子名称: | EH domain-binding protein 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | 著者 | Rai, A, Bleimling, N, Vetter, I.R, Goody, R.S. | 登録日 | 2020-07-15 | 公開日 | 2020-09-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The mechanism of activation of the actin binding protein EHBP1 by Rab8 family members. Nat Commun, 11, 2020
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6Z9I
| Escherichia coli D-2-deoxyribose-5-phosphate aldolase - N21K mutant complex with reaction products | 分子名称: | 1,2-ETHANEDIOL, Deoxyribose-phosphate aldolase, GLYCERALDEHYDE-3-PHOSPHATE, ... | 著者 | Paakkonen, J, Hakulinen, N, Rouvinen, J. | 登録日 | 2020-06-04 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Substrate specificity of 2-deoxy-D-ribose 5-phosphate aldolase (DERA) assessed by different protein engineering and machine learning methods. Appl.Microbiol.Biotechnol., 104, 2020
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6Z9H
| Escherichia coli D-2-deoxyribose-5-phosphate aldolase - C47V/G204A/S239D mutant | 分子名称: | 1,2-ETHANEDIOL, Deoxyribose-phosphate aldolase, FORMIC ACID, ... | 著者 | Paakkonen, J, Hakulinen, N, Rouvinen, J. | 登録日 | 2020-06-04 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Substrate specificity of 2-deoxy-D-ribose 5-phosphate aldolase (DERA) assessed by different protein engineering and machine learning methods. Appl.Microbiol.Biotechnol., 104, 2020
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7QGW
| Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Calpeptin, ... | 著者 | Loboda, J, Karnicar, K, Lindic, N, Usenik, A, Lieske, J, Meents, A, Guenther, S, Reinke, P.Y.A, Falke, S, Ewert, W, Turk, D. | 登録日 | 2021-12-10 | 公開日 | 2022-12-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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