6UJM
 
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7DO7
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5AB8
 | | High resolution X-ray structure of the N-terminal truncated form (residues 1-11) of Mycobacterium tuberculosis HbN | | 分子名称: | ACETATE ION, FORMIC ACID, GLYCEROL, ... | | 著者 | Pesce, A, Bustamante, J.P, Bidon-Chanal, A, Boechi, L, Estrin, D.A, Luque, F.J, Sebilo, A, Guertin, M, Bolognesi, M, Ascenzi, P, Nardini, M. | | 登録日 | 2015-08-04 | | 公開日 | 2015-11-04 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | The N-Terminal Pre-A Region of Mycobacterium Tuberculosis 2/2Hbn Promotes No-Dioxygenase Activity.
FEBS J., 283, 2016
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1QMH
 | | Crystal structure of RNA 3'-terminal phosphate cyclase, an ubiquitous enzyme with unusual topology | | 分子名称: | 1-HYDROXYSULFANYL-4-MERCAPTO-BUTANE-2,3-DIOL, CITRIC ACID, RNA 3'-TERMINAL PHOSPHATE CYCLASE | | 著者 | Palm, G.J, Billy, E, Filipowicz, W, Wlodawer, A. | | 登録日 | 1999-09-28 | | 公開日 | 2000-01-11 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal Structure of RNA 3'-Terminal Phosphate Cyclase, a Ubiquitous Enzyme with Unusual Topology
Structure, 8, 2000
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9IKD
 | | The apo structure of the MazF-mt3 toxin | | 分子名称: | Endoribonuclease MazF6 | | 著者 | Xie, W, Jiang, P. | | 登録日 | 2024-06-27 | | 公開日 | 2025-06-11 | | 実験手法 | X-RAY DIFFRACTION (3.32 Å) | | 主引用文献 | Long Dynamic beta 1-beta 2 Loops in M. tb MazF Toxins Affect the Interaction Modes and Strengths of the Toxin-Antitoxin Pairs.
Int J Mol Sci, 25, 2024
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6BV6
 | | Structure of proteinaceous RNase P 1 (PRORP1) from A. thaliana after 3-hour soak with juglone | | 分子名称: | 5-hydroxynaphthalene-1,4-dione, Proteinaceous RNase P 1, chloroplastic/mitochondrial, ... | | 著者 | Karasik, A, Wu, N, Fierke, C.A, Koutmos, M. | | 登録日 | 2017-12-12 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Inhibition of protein-only RNase P with Gambogic acid and Juglone
To Be Published
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7DCF
 | | Crystal structure of EHMT2 SET domain in complex with compound 10 | | 分子名称: | 5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl)spiro[cyclobutane-1,3'-indole]-2'-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ... | | 著者 | Suzuki, M, Katayama, K. | | 登録日 | 2020-10-26 | | 公開日 | 2021-02-10 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of DS79932728: A Potent, Orally Available G9a/GLP Inhibitor for Treating beta-Thalassemia and Sickle Cell Disease.
Acs Med.Chem.Lett., 12, 2021
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6UFO
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7DB4
 | | Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in TDP012- and glutathione-bound form | | 分子名称: | 1-[(4-fluorophenyl)methyl]-2,2-bis(oxidanylidene)thieno[3,2-c][1,2]thiazin-4-one, GLUTATHIONE, Glutathione S-transferase E14 | | 著者 | Koiwai, K, Inaba, K, Yumoto, F, Senda, T, Niwa, R. | | 登録日 | 2020-10-18 | | 公開日 | 2021-02-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo
J Pestic Sci, 46, 2021
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5DQ1
 | | Endothiapepsin in complex with fragment 34 | | 分子名称: | 1,2-ETHANEDIOL, 3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1H)-one, Endothiapepsin, ... | | 著者 | Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. | | 登録日 | 2015-09-14 | | 公開日 | 2016-09-28 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.489 Å) | | 主引用文献 | Crystallographic Fragment Screening of an Entire Library
To Be Published
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2V62
 | | Structure of vaccinia-related kinase 2 | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, SERINE/THREONINE-PROTEIN KINASE VRK2, ... | | 著者 | Bunkoczi, G, Eswaran, J, Cooper, C, Fedorov, O, Keates, T, Rellos, P, Salah, E, Savitsky, P, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, Knapp, S. | | 登録日 | 2007-07-13 | | 公開日 | 2007-08-21 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure of the Pseudokinase Vrk3 Reveals a Degraded Catalytic Site, a Highly Conserved Kinase Fold, and a Putative Regulatory Binding Site.
Structure, 17, 2009
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5HGA
 | | HLA*A2402 complex with HIV nef138 Y2F-8mer mutant epitope | | 分子名称: | 8-mer from Protein Nef, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | 著者 | Shi, Y, Qi, J, Gao, G.F. | | 登録日 | 2016-01-08 | | 公開日 | 2016-06-08 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.199 Å) | | 主引用文献 | Effects of a Single Escape Mutation on T Cell and HIV-1 Co-adaptation.
Cell Rep, 15, 2016
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6UOC
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with Givinostat | | 分子名称: | 1,2-ETHANEDIOL, Givinostat, Histone deacetylase 6, ... | | 著者 | Osko, J.D, Christianson, D.W. | | 登録日 | 2019-10-14 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.400008 Å) | | 主引用文献 | Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6.
Biochemistry, 58, 2019
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3K6B
 | | X-ray crystal structure of the E2 domain of APL-1 from C. elegans, in complex with sucrose octasulfate (SOS) | | 分子名称: | 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, Beta-amyloid-like protein | | 著者 | Hoopes, J.T, Ha, Y. | | 登録日 | 2009-10-08 | | 公開日 | 2009-11-10 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural characterization of the E2 domain of APL-1, a Caenorhabditis elegans homolog of human amyloid precursor protein, and its heparin binding site
J.Biol.Chem., 285, 2010
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6ZP4
 | | SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 2 | | 分子名称: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | 著者 | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | 登録日 | 2020-07-08 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
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6MD7
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5Y4H
 | | Human SIRT3 in complex with halistanol sulfate | | 分子名称: | NAD-dependent protein deacetylase sirtuin-3, mitochondrial, THr-Arg-Ser-GLY-ALY-VAL-MET-ARG-ARG-LEU-ARG-ARG, ... | | 著者 | Kudo, N, Ito, A, Yoshida, M. | | 登録日 | 2017-08-03 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Halistanol sulfates I and J, new SIRT1-3 inhibitory steroid sulfates from a marine sponge of the genus Halichondria
J. Antibiot., 71, 2018
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7B7W
 | | Notum-Fragment049 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea, ... | | 著者 | Zhao, Y, Jonees, E.Y. | | 登録日 | 2020-12-11 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Notum Fragment Screen
To Be Published
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5YFY
 | | Plasmodium vivax SHMT bound with PLP-glycine and GS625 | | 分子名称: | 1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidine-4-carboxylic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. | | 登録日 | 2017-09-22 | | 公開日 | 2018-09-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | to be published
to be published
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7B7Y
 | | Notum-Fragment064 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, N-(4-methyl-1,3-thiazol-2-yl)propanamide, ... | | 著者 | Zhao, Y, Jonees, E.Y. | | 登録日 | 2020-12-11 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Notum Fragment Screen
To Be Published
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7B7X
 | | Notum-Fragment063 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, N-(2,1,3-benzoxadiazol-4-yl)acetamide, ... | | 著者 | Zhao, Y, Jonees, E.Y. | | 登録日 | 2020-12-11 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Notum Fragment Screen
To Be Published
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1AHT
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9R3C
 | | Recombinant human butyrylcholinesterase in complex with N-([(3S)-1-benzylpiperidin-3-yl]methyl)-N-(2-methoxyethyl)naphthalene-2-sulfonamide | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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 | Brazzolotto, X, Kosak, U, Gobec, S, Nachon, F. | | 登録日 | 2025-05-03 | | 公開日 | 2025-07-30 | | 最終更新日 | 2025-08-06 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Chiral switch of a butyrylcholinesterase inhibitor for the treatment of Alzheimer's disease.
Chem.Biol.Interact., 420, 2025
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1LBY
 | | Crystal Structure of a complex (P32 crystal form) of dual activity FBPase/IMPase (AF2372) from Archaeoglobus fulgidus with 3 Manganese ions, Fructose-6-Phosphate, and Phosphate ion | | 分子名称: | 6-O-phosphono-beta-D-fructofuranose, MANGANESE (II) ION, PHOSPHATE ION, ... | | 著者 | Stieglitz, K.A, Johnson, K.A, Yang, H, Roberts, M.F, Seaton, B.A, Head, J.F, Stec, B. | | 登録日 | 2002-04-04 | | 公開日 | 2002-05-22 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Crystal structure of a dual activity IMPase/FBPase (AF2372) from Archaeoglobus fulgidus. The story of a mobile loop.
J.Biol.Chem., 277, 2002
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9R3B
 | | Recombinant human Butyrylcholinesterase in complex with N-([(3R)-1-benzylpiperidin-3-yl]methyl)-N-(2-methoxyethyl)naphthalene-2-sulfonamide | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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 | Brazzolotto, X, Kosac, U, Gobec, S, Nachon, F. | | 登録日 | 2025-05-03 | | 公開日 | 2025-07-30 | | 最終更新日 | 2025-08-06 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Chiral switch of a butyrylcholinesterase inhibitor for the treatment of Alzheimer's disease.
Chem.Biol.Interact., 420, 2025
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