8XEA
 
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7BTH
 | | Mevo lectin- Native form-1 | | 分子名称: | GLYCEROL, lectin | | 著者 | Sivaji, N, Suguna, K, Surolia, A, Vijayan, M. | | 登録日 | 2020-04-01 | | 公開日 | 2021-02-03 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural and related studies on Mevo lectin from Methanococcus voltae A3: the first thorough characterization of an archeal lectin and its interactions.
Glycobiology, 31, 2021
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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 | 2024-10-23 | | 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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6QDF
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8R4O
 | | Salt inducible kinase 3 in complex with inhibitor | | 分子名称: | 2-[bis(fluoranyl)methoxy]-4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-~{N}-[(1~{R},2~{S})-2-fluoranylcyclopropyl]-6-methoxy-benzamide, SULFATE ION, Serine/threonine-protein kinase SIK3, ... | | 著者 | Kack, H, Oster, L. | | 登録日 | 2023-11-14 | | 公開日 | 2024-03-27 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.725 Å) | | 主引用文献 | The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity.
J.Biol.Chem., 300, 2024
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9G1J
 | | Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry A06 | | 分子名称: | 1,2-ETHANEDIOL, 3-methylsulfanyl-1,2,4-triazine, Fosfomycin resistance protein, ... | | 著者 | Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A. | | 登録日 | 2024-07-10 | | 公開日 | 2025-07-23 | | 最終更新日 | 2025-10-22 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
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5JYB
 | | Crystal structure of 3 mutant of Ba3275 (S116A, E243A, H313A), the member of S66 family of serine peptidases | | 分子名称: | 1,2-ETHANEDIOL, 2-BUTANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Nocek, B, Jedrzejczak, R, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2016-05-13 | | 公開日 | 2016-06-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.647 Å) | | 主引用文献 | Crystal structure of 3 mutant of Ba3275 (S116A, E243A, H313A), the member of S66 family of serine peptidases
To Be Published
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9G1K
 | | Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry A09 | | 分子名称: | 1,2-ETHANEDIOL, 2-sulfanylpyridine-3-carboximidamide, Fosfomycin resistance protein, ... | | 著者 | Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A. | | 登録日 | 2024-07-10 | | 公開日 | 2025-07-23 | | 最終更新日 | 2025-10-22 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
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6T03
 | | Crystal structure of YTHDC1 with fragment 16 (DHU_DC1_017) | | 分子名称: | 1,3-dihydroimidazole-2-thione, SULFATE ION, YTHDC1 | | 著者 | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | 登録日 | 2019-10-02 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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6Z2J
 | | The structure of the dimeric HDAC1/MIDEAS/DNTTIP1 MiDAC deacetylase complex | | 分子名称: | Deoxynucleotidyltransferase terminal-interacting protein 1, Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, ... | | 著者 | Fairall, L, Saleh, A, Ragan, T.J, Millard, C.J, Savva, C.G, Schwabe, J.W.R. | | 登録日 | 2020-05-16 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | The MiDAC histone deacetylase complex is essential for embryonic development and has a unique multivalent structure.
Nat Commun, 11, 2020
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4Z9P
 | | Crystal structure of Ebola virus nucleoprotein core domain at 1.8A resolution | | 分子名称: | Nucleoprotein | | 著者 | Guo, Y, Dong, S.S, Yang, P, Li, G.B, Liu, B.C, Yang, C, Rao, Z.H. | | 登録日 | 2015-04-11 | | 公開日 | 2015-05-20 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.792 Å) | | 主引用文献 | Insight into the Ebola virus nucleocapsid assembly mechanism: crystal structure of Ebola virus nucleoprotein core domain at 1.8 A resolution.
Protein Cell, 6, 2015
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7QUV
 | | Crystal structure of human Calprotectin (S100A8/S100A9) in complex with Peptide 3 | | 分子名称: | 1,2-ETHANEDIOL, 4-methanoyl-2-(6-oxidanyl-3-oxidanylidene-4~{H}-xanthen-9-yl)benzoic acid, AMINO GROUP, ... | | 著者 | Diaz-Perlas, C, Heinis, C, Pojer, F, Lau, K. | | 登録日 | 2022-01-19 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | High-affinity peptides developed against calprotectin and their application as synthetic ligands in diagnostic assays.
Nat Commun, 14, 2023
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9G46
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5X7G
 | | Crystal Structure of Paenibacillus sp. 598K cycloisomaltooligosaccharide glucanotransferase | | 分子名称: | CALCIUM ION, Cycloisomaltooligosaccharide glucanotransferase, GLYCEROL, ... | | 著者 | Fujimoto, Z, Kishine, N, Suzuki, N, Suzuki, R, Momma, M, Funane, K. | | 登録日 | 2017-02-26 | | 公開日 | 2017-04-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Isomaltooligosaccharide-binding structure ofPaenibacillussp. 598K cycloisomaltooligosaccharide glucanotransferase
Biosci. Rep., 37, 2017
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6VTS
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6VTQ
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9G1E
 | | Fragment screening of FosAKP, room-temperature structure in complex with fragment F2X-entry E07 | | 分子名称: | 1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine, Fosfomycin resistance protein, MANGANESE (II) ION | | 著者 | Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A. | | 登録日 | 2024-07-10 | | 公開日 | 2025-07-23 | | 最終更新日 | 2025-10-22 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
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7QVJ
 | | ESTROGEN RECEPTOR ALPHA IN COMPLEX WITH COMPOUND 29 | | 分子名称: | 2,2-bis(fluoranyl)-3-[(1~{R},3~{R})-1-[6-fluoranyl-3-[2-(3-fluoranylpropylamino)ethoxy]-2-methyl-phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-ol, Estrogen receptor | | 著者 | Breed, J. | | 登録日 | 2022-01-21 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists.
J.Med.Chem., 66, 2023
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8IJC
 | | NMR solution structure of the 1:1 complex of a platinum(II) ligand L1-transpt covalently bound to a G-quadruplex MYT1L | | 分子名称: | G-quadruplex DNA MYT1L, Pt(NH3)2(2-(pyridin-4-ylmethyl)benzo-[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone) | | 著者 | Liu, L.-Y, Mao, Z.-W. | | 登録日 | 2023-02-27 | | 公開日 | 2023-06-28 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Organic-Platinum Hybrids for Covalent Binding of G-Quadruplexes: Structural Basis and Application to Cancer Immunotherapy.
Angew.Chem.Int.Ed.Engl., 62, 2023
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6HPX
 | | Crystal structure of ENL (MLLT1) in complex with compound 19 | | 分子名称: | 1,2-ETHANEDIOL, Protein ENL, ~{N}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide | | 著者 | Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-09-22 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
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7MR8
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8DGC
 | | Avs3 bound to phage PhiV-1 terminase | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, SeAvs3, ... | | 著者 | Wilkinson, M.E, Gao, L, Strecker, J, Makarova, K.S, Macrae, R.K, Koonin, E.V, Zhang, F. | | 登録日 | 2022-06-23 | | 公開日 | 2022-08-03 | | 最終更新日 | 2025-05-14 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Prokaryotic innate immunity through pattern recognition of conserved viral proteins.
Science, 377, 2022
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6ZAA
 | | PI3K Delta in complex with methoxy(methylsulfamoyl)pyridinylN(methylpiperidinyl)dihydrobenzoxazinecarboxamide | | 分子名称: | 4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{N}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P. | | 登録日 | 2020-06-05 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta.
Acs Med.Chem.Lett., 11, 2020
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8D95
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7EZ2
 | | Holo L-16 ScaI Tetrahymena ribozyme | | 分子名称: | Holo L-16 ScaI Tetrahymena ribozyme, Holo L-16 ScaI Tetrahymena ribozyme S1, Holo L-16 ScaI Tetrahymena ribozyme S2, ... | | 著者 | Su, Z, Zhang, K, Kappel, K, Luo, B, Das, R, Chiu, W. | | 登録日 | 2021-06-01 | | 公開日 | 2021-08-25 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3.05 Å) | | 主引用文献 | Cryo-EM structures of full-length Tetrahymena ribozyme at 3.1 angstrom resolution.
Nature, 596, 2021
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