4UCU
 
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | 分子名称: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxyquinoline-2-carboxylic acid, DNA LIGASE | | 著者 | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | | 登録日 | 2014-12-04 | | 公開日 | 2015-10-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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6USC
 | | Structure of Human Intelectin-1 in complex with KO | | 分子名称: | CALCIUM ION, CHLORIDE ION, Intelectin-1, ... | | 著者 | Windsor, I.W, Isabella, C.R, Kosma, P, Raines, R.T, Kiessling, L.L. | | 登録日 | 2019-10-25 | | 公開日 | 2020-01-22 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Stereoelectronic Effects Impact Glycan Recognition.
J.Am.Chem.Soc., 142, 2020
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6ISE
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4U1R
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6CQV
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with VX(+) and HI-6 | | 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 | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | | 登録日 | 2018-03-16 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | | 主引用文献 | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
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8XBC
 | | The substrate binding protein of an ABC transporter in complex with beta-1,3-xylotriose | | 分子名称: | XylA, beta-D-xylopyranose-(1-3)-beta-D-xylopyranose-(1-3)-beta-D-xylopyranose | | 著者 | Zhao, F, Sun, H.N, Chen, X.L, Zhang, Y.Z. | | 登録日 | 2023-12-06 | | 公開日 | 2024-12-11 | | 最終更新日 | 2025-07-02 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Complete xylan utilization pathway and regulation mechanisms involved in marine algae degradation by cosmopolitan marine and human gut microbiota.
Isme J, 19, 2025
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6V76
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4UAI
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7VEJ
 | | Crystal structure of Phytolacca americana UGT3 with kaempferol and UDP-2fluoroglucose | | 分子名称: | 1,2-ETHANEDIOL, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, ... | | 著者 | Maharjan, R, Fukuda, Y, Nakayama, T, Nakayama, T, Hamada, H, Ozaki, S, Inoue, T. | | 登録日 | 2021-09-09 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural basis for substrate recognition in the Phytolacca americana glycosyltransferase PaGT3.
Acta Crystallogr D Struct Biol, 78, 2022
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7VEL
 | | Crystal structure of Phytolacca americana UGT3 with UDP-2fluoroglucose | | 分子名称: | 1,2-ETHANEDIOL, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Glycosyltransferase, ... | | 著者 | Maharjan, R, Fukuda, Y, Nakayama, T, Nakayama, T, Hamada, H, Ozaki, S, Inoue, T. | | 登録日 | 2021-09-09 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structural basis for substrate recognition in the Phytolacca americana glycosyltransferase PaGT3.
Acta Crystallogr D Struct Biol, 78, 2022
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4U7A
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6VC9
 | | TB19 complex | | 分子名称: | 1,2-ETHANEDIOL, 5'-nucleotidase, ecto (CD73), ... | | 著者 | Zhou, Y.F, Lord, D.M. | | 登録日 | 2019-12-20 | | 公開日 | 2020-11-11 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | A highly potent CD73 biparatopic antibody blocks organization of the enzyme active site through dual mechanisms.
J.Biol.Chem., 295, 2020
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6J1M
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9I02
 | | Structure of recombinant human butyrylcholinesterase in complex with (S)-N-((1-benzylpyrrolidin-3-yl)methyl)-N-methylnaphthalene-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 | 2025-01-14 | | 公開日 | 2025-07-02 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Lead Optimization of a Butyrylcholinesterase Inhibitor for the Treatment of Alzheimer's Disease.
J.Med.Chem., 68, 2025
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9I03
 | | Structure of recombinant human butyrylcholinesterase in complex with (R)-N-((1-benzylpyrrolidin-3-yl)methyl)-N-methylnaphthalene-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 | 2025-01-14 | | 公開日 | 2025-07-02 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | Lead Optimization of a Butyrylcholinesterase Inhibitor for the Treatment of Alzheimer's Disease.
J.Med.Chem., 68, 2025
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4UAK
 | | MRCK beta in complex with ADP | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | 著者 | Schuettelkopf, A.W. | | 登録日 | 2014-08-10 | | 公開日 | 2014-10-22 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | A novel small-molecule MRCK inhibitor blocks cancer cell invasion.
Cell Commun. Signal, 12, 2014
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6CCL
 | | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 1-benzyl-1H-imidazo[4,5-b]pyridine | | 分子名称: | 1-benzyl-1H-imidazo[4,5-b]pyridine, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | | 著者 | Mamo, M, Appleton, B.A. | | 登録日 | 2018-02-07 | | 公開日 | 2018-03-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
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4UCV
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | 分子名称: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, DNA LIGASE | | 著者 | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | | 登録日 | 2014-12-04 | | 公開日 | 2015-10-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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4UHB
 | | Laboratory evolved variant R-C1 of potato epoxide hydrolase StEH1 | | 分子名称: | 1,2-ETHANEDIOL, EPOXIDE HYDROLASE, GLYCEROL | | 著者 | Nilsson, M.T.I, Carlsson, A.J, Dobritzsch, D, Widersten, M. | | 登録日 | 2015-03-23 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Laboratory Evolved Enzymes Provide Snapshots of the Development of Enantioconvergence in Enzyme-Catalyzed Epoxide Hydrolysis.
Chembiochem, 17, 2016
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6V1J
 | | Structure of KPC-2 bound to QPX7728 at 1.30 A | | 分子名称: | (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, ... | | 著者 | Pemberton, O.A, Chen, Y. | | 登録日 | 2019-11-20 | | 公開日 | 2020-03-25 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.
J.Med.Chem., 63, 2020
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7W3D
 | | Crystal structure of BRD4 bromodomain 1 (BD1) in complex with N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine | | 分子名称: | Bromodomain-containing protein 4, N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine | | 著者 | Park, T.H, Lee, B.I. | | 登録日 | 2021-11-25 | | 公開日 | 2022-09-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Discovery of BET specific bromodomain inhibitors with a novel scaffold.
Bioorg.Med.Chem., 72, 2022
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4UCP
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9I5P
 | | Recombinant human butyrylcholinesterase in complex with 1-(isobutylmethyl)-5-(2,4-difluorobenzyl)-N-(2-(dimethylamino)ethyl)-1H-indazole-6-carboxamide | | 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)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Brazzolotto, X, Ferjancic Benetik, S, Knez, D, Proj, M, Gobec, S, Nachon, F. | | 登録日 | 2025-01-28 | | 公開日 | 2025-08-20 | | 最終更新日 | 2025-09-10 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Targeting Neuroinflammation and Cognitive Decline: First-in-Class Dual Butyrylcholinesterase and p38 alpha Mitogen-Activated Protein Kinase Inhibitors.
J.Med.Chem., 68, 2025
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9I5Q
 | | Recombinant human butyrylcholinesterase in complex with 2-(cyclohexylmethyl)-5-(2,4-difluorophenoxy)-N-(2-(3-(methoxymethyl)piperidin-1-yl)ethyl)-2H-indazole-6-carboxamide | | 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, Ferjancic Benetik, S, Knez, D, Proj, M, Gobec, S, Nachon, F. | | 登録日 | 2025-01-28 | | 公開日 | 2025-08-20 | | 最終更新日 | 2025-09-10 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Targeting Neuroinflammation and Cognitive Decline: First-in-Class Dual Butyrylcholinesterase and p38 alpha Mitogen-Activated Protein Kinase Inhibitors.
J.Med.Chem., 68, 2025
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8Y6O
 | | Cryo-EM Structure of the human minor pre-B complex (pre-precatalytic spliceosome) U11 and tri-snRNP part | | 分子名称: | 116 kDa U5 small nuclear ribonucleoprotein component, Centrosomal AT-AC splicing factor, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Bai, R, Yuan, M, Zhang, P, Luo, T, Shi, Y, Wan, R. | | 登録日 | 2024-02-02 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.38 Å) | | 主引用文献 | Structural basis of U12-type intron engagement by the fully assembled human minor spliceosome.
Science, 383, 2024
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