8K70
 
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6O4D
 | | Structure of ALDH7A1 mutant W175A complexed with L-pipecolic acid | | 分子名称: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Tanner, J.J, Korasick, D.A, Laciak, A.R. | | 登録日 | 2019-02-28 | | 公開日 | 2019-07-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Structural and biochemical consequences of pyridoxine-dependent epilepsy mutations that target the aldehyde binding site of aldehyde dehydrogenase ALDH7A1.
Febs J., 287, 2020
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6XLK
 | | Cryo-EM structure of EcmrR-DNA complex in EcmrR-RPitc-4nt | | 分子名称: | CHAPSO, MerR family transcriptional regulator EcmrR, TETRAPHENYLANTIMONIUM ION, ... | | 著者 | Yang, Y, Liu, C, Liu, B. | | 登録日 | 2020-06-28 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Nat Commun, 12, 2021
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6XLA
 | | Cryo-EM structure of EcmrR-DNA complex in EcmrR-RPitc-3nt | | 分子名称: | MerR family transcriptional regulator EcmrR, TETRAPHENYLANTIMONIUM ION, synthetic non-template strand DNA (54-MER), ... | | 著者 | Yang, Y, Liu, C, Shi, W, Liu, B. | | 登録日 | 2020-06-28 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Nat Commun, 12, 2021
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6XL6
 | | Cryo-EM structure of EcmrR-DNA complex in EcmrR-RPo | | 分子名称: | CHAPSO, MerR family transcriptional regulator EcmrR, TETRAPHENYLANTIMONIUM ION, ... | | 著者 | Yang, Y, Liu, C, Liu, B. | | 登録日 | 2020-06-28 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Nat Commun, 12, 2021
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6O4B
 | | Structure of ALDH7A1 mutant W175G complexed with NAD | | 分子名称: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, CHLORIDE ION, ... | | 著者 | Tanner, J.J, Korasick, D.A, Laciak, A.R. | | 登録日 | 2019-02-28 | | 公開日 | 2019-07-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural and biochemical consequences of pyridoxine-dependent epilepsy mutations that target the aldehyde binding site of aldehyde dehydrogenase ALDH7A1.
Febs J., 287, 2020
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7NEV
 | | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | | 分子名称: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2021-02-05 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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6XTF
 | | Crystal structure a Thioredoxin Reductase from Gloeobacter violaceus bound to its electron donor | | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Buey, R.M, Gonzalez-Holgado, G, Fernandez-Justel, D, Balsera, M. | | 登録日 | 2020-01-16 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Unexpected diversity of ferredoxin-dependent thioredoxin reductases in cyanobacteria.
Plant Physiol., 186, 2021
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6Y1C
 | | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant D54F | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D. | | 登録日 | 2020-02-11 | | 公開日 | 2020-02-19 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021
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5ISH
 | | Crystal structure of mouse CARM1 in complex with inhibitor SA0765 | | 分子名称: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ... | | 著者 | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | | 登録日 | 2016-03-15 | | 公開日 | 2017-03-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.152 Å) | | 主引用文献 | Crystal structure of mouse CARM1 in complex with inhibitor SA0765
To Be Published
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6YO3
 | | LecA from Pseudomonas aeruginosa in complex with a catechol CAS no. 67984-81-0 | | 分子名称: | 1,2-ETHANEDIOL, 2,3-bis(oxidanyl)benzenecarbonitrile, CALCIUM ION, ... | | 著者 | Kuhaudomlarp, S, Imberty, A, Titz, A. | | 登録日 | 2020-04-14 | | 公開日 | 2020-12-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Non-Carbohydrate Glycomimetics as Inhibitors of Calcium(II)-Binding Lectins.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7NMH
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8OTD
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5ISB
 | | Crystal structure of mouse CARM1 in complex with inhibitor SA0435 | | 分子名称: | 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, 5'-{[(3S)-3-amino-3-carboxypropyl][(1H-imidazol-4-yl)methyl]amino}-5'-deoxyadenosine, ... | | 著者 | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | | 登録日 | 2016-03-15 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of mouse CARM1 in complex with inhibitor SA0435
To Be Published
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6Y6B
 | | Crystal structure of human 14-3-3 gamma in complex with CaMKK2 14-3-3 binding motif Ser100 and 16-OMe-Fusicoccin H | | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[[(1~{S},3~{R},6~{S},7~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(me thoxymethyl)-3,10-dimethyl-9-oxidanyl-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradecanyl]oxy]oxane-3,4,5-triol, 14-3-3 protein gamma, Calcium/calmodulin-dependent protein kinase kinase 2 | | 著者 | Lentini Santo, D, Obsilova, V, Obsil, T. | | 登録日 | 2020-02-26 | | 公開日 | 2021-02-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.08 Å) | | 主引用文献 | Stabilization of Protein-Protein Interactions between CaMKK2 and 14-3-3 by Fusicoccins.
Acs Chem.Biol., 15, 2020
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5ISF
 | | Crystal structure of mouse CARM1 in complex with inhibitor SA0705 | | 分子名称: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ... | | 著者 | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | | 登録日 | 2016-03-15 | | 公開日 | 2017-03-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Crystal structure of mouse CARM1 in complex with inhibitor SA0705
To Be Published
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4CL3
 | | 1.70 A resolution structure of the malate dehydrogenase from Chloroflexus aurantiacus | | 分子名称: | ACETATE ION, CADMIUM ION, CHLORIDE ION, ... | | 著者 | Talon, R, Madern, D, Girard, E. | | 登録日 | 2014-01-11 | | 公開日 | 2014-02-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.699 Å) | | 主引用文献 | An Experimental Point of View on Hydration/Solvation in Halophilic Proteins.
Front.Microbiol., 5, 2014
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8PUN
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8PRX
 | | Crystal structure of human cathepsin L after reaction with the bound ketoamide inhibitor 13b | | 分子名称: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | 登録日 | 2023-07-12 | | 公開日 | 2023-08-23 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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8QKB
 | | Crystal structure of human cathepsin L in complex with the vinyl sulfone inhibitor K777 | | 分子名称: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | 登録日 | 2023-09-14 | | 公開日 | 2023-09-27 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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5FGJ
 | | Structure of tetrameric rat phenylalanine hydroxylase, residues 1-453 | | 分子名称: | FE (III) ION, MAGNESIUM ION, Phenylalanine-4-hydroxylase | | 著者 | Taylor, A.B, Roberts, K.M, Fitzpatrick, P.F. | | 登録日 | 2015-12-20 | | 公開日 | 2016-05-18 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Domain Movements upon Activation of Phenylalanine Hydroxylase Characterized by Crystallography and Chromatography-Coupled Small-Angle X-ray Scattering.
J.Am.Chem.Soc., 138, 2016
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7NYF
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7NVI
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-186 | | 分子名称: | 14-3-3 protein sigma, 4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde, CHLORIDE ION, ... | | 著者 | Wolter, M, Ottmann, C. | | 登録日 | 2021-03-15 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
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7NZ6
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7O3F
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