7OV2
| Crystal structure of pig purple acid phosphatase in complex with L-glutamine, (poly)ethylene glycol fragments and glycerol | 分子名称: | 1,2-ETHANEDIOL, CITRIC ACID, FE (III) ION, ... | 著者 | Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G. | 登録日 | 2021-06-14 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach. Chemmedchem, 16, 2021
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6Z5X
| The RSL - sulfonato-calix[8]arene complex, P213 form, acetate pH 4.8 | 分子名称: | Fucose-binding lectin protein, SODIUM ION, SULFATE ION, ... | 著者 | Engilberge, S, Ramberg, K, Crowley, P.B. | 登録日 | 2020-05-27 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Facile Fabrication of Protein-Macrocycle Frameworks. J.Am.Chem.Soc., 143, 2021
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6Z6C
| Crystal structurel of FleA lectin in complex with a monovalent inhibitor | 分子名称: | 4-((1-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)benzyl-a-L-thiofucoside, Fucose-specific lectin, GLYCEROL, ... | 著者 | Varrot, A. | 登録日 | 2020-05-28 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Hexavalent thiofucosides to probe the role of the Aspergillus fumigatus lectin FleA in fungal pathogenicity. Org.Biomol.Chem., 19, 2021
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4KYV
| Crystal Structure of dehalogenase HaloTag2 with HALTS at the resolution 1.8A. Northeast Structural Genomics Consortium (NESG) Target OR150 | 分子名称: | N-(2-ethoxy-3,5-dimethylbenzyl)-1H-tetrazol-5-amine, SODIUM ION, dehalogenase HaloTag2 | 著者 | Kuzin, A, Lew, S, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2013-05-29 | 公開日 | 2013-07-24 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.796 Å) | 主引用文献 | Northeast Structural Genomics Consortium Target OR150 To be Published
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6IVO
| Crystal structure of a membrane protein P208A | 分子名称: | 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ... | 著者 | Kittredge, A, Fukuda, F, Zhang, Y, Yang, T. | 登録日 | 2018-12-04 | 公開日 | 2019-11-06 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations. Commun Biol, 2, 2019
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5L3G
| LSD1-CoREST1 in complex with polymyxin E (colistin) | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1, ... | 著者 | Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A. | 登録日 | 2016-04-10 | 公開日 | 2016-09-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features. Sci Adv, 2, 2016
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7OP6
| Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured cyclophellitol aziridine | 分子名称: | (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, BROMIDE ION, ... | 著者 | McGregor, N.G.S, Beenakker, T.J.M, Kuo, C, Wong, C, Offen, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H.S, Davies, G.J. | 登録日 | 2021-05-29 | 公開日 | 2022-05-18 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases. Org.Biomol.Chem., 20, 2022
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5L26
| Structure of CNTnw in an inward-facing substrate-bound state | 分子名称: | 2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-2-octyldecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, Nucleoside permease, SODIUM ION, ... | 著者 | Hirschi, M, Johnson, Z.L, Lee, S.-Y. | 登録日 | 2016-07-31 | 公開日 | 2017-04-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Visualizing multistep elevator-like transitions of a nucleoside transporter. Nature, 545, 2017
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4LRT
| Crystal and solution structures of the bifunctional enzyme (Aldolase/Aldehyde dehydrogenase) from Thermomonospora curvata, reveal a cofactor-binding domain motion during NAD+ and CoA accommodation whithin the shared cofactor-binding site | 分子名称: | 4-hydroxy-2-oxovalerate aldolase, Acetaldehyde dehydrogenase, COENZYME A, ... | 著者 | Fischer, B, Branlant, G, Talfournier, F, Gruez, A. | 登録日 | 2013-07-20 | 公開日 | 2013-09-04 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal and solution structures of the bifunctional enzyme (Aldolase/Aldehyde dehydrogenase) from Thermomonospora curvata, reveal a cofactor-binding domain motion during NAD+ and CoA accommodation whithin the shared cofactor-binding site To be Published
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6IVQ
| Crystal structure of a membrane protein S19A | 分子名称: | 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ... | 著者 | Kittredge, A, Fukuda, F, Zhang, Y, Yang, T. | 登録日 | 2018-12-04 | 公開日 | 2019-11-06 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations. Commun Biol, 2, 2019
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5L6Q
| Refolded AL protein from cardiac amyloidosis | 分子名称: | CARBONATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Annamalai, K, Liberta, F, Vielberg, M.-T, Lilie, H, Guehrs, K.-H, Schierhorn, A, Koehler, R, Schmidt, A, Haupt, C, Hegenbart, O, Schoenland, S, Groll, M, Faendrich, M. | 登録日 | 2016-05-31 | 公開日 | 2017-05-31 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Common Fibril Structures Imply Systemically Conserved Protein Misfolding Pathways In Vivo. Angew. Chem. Int. Ed. Engl., 56, 2017
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4M4S
| Gamma subunit of the translation initiation factor 2 from Sulfolobus solfataricus in complex with GDP and formate ion mimic aIF2gamma*GDP*Pi complex (a formate ion substitutes for Pi) | 分子名称: | FORMIC ACID, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Nikonov, O.S, Stolboushkina, E.A, Arkhipova, V.I, Gabdulkhakov, A.G, Nikulin, A.D, Garber, M.B, Nikonov, S.V. | 登録日 | 2013-08-07 | 公開日 | 2014-03-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.251 Å) | 主引用文献 | Conformational transitions in the gamma subunit of the archaeal translation initiation factor 2. Acta Crystallogr.,Sect.D, 70, 2014
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7OW7
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3QW8
| Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor CRGC | 分子名称: | 1,2-ETHANEDIOL, Botulinum neurotoxin type A, SODIUM ION, ... | 著者 | Kumaran, D, Swaminathan, S. | 登録日 | 2011-02-27 | 公開日 | 2012-02-08 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling. Acta Crystallogr.,Sect.D, 68, 2012
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3PIP
| Crystal structure of the synergistic antibiotic pair lankamycin and lankacidin in complex with the large ribosomal subunit | 分子名称: | 50S ribosomal protein L11, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | 著者 | Belousoff, M.J, Shapira, T, Bashan, A, Zimmerman, E, Kinashi, H, Rozenberg, H, Yonath, A. | 登録日 | 2010-11-07 | 公開日 | 2011-02-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | 主引用文献 | Crystal structure of the synergistic antibiotic pair, lankamycin and lankacidin, in complex with the large ribosomal subunit. Proc.Natl.Acad.Sci.USA, 108, 2011
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7P4J
| Crystal structure of Autotaxin and tetrahydrocannabinol | 分子名称: | (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, ... | 著者 | Eymery, M.C, McCarthy, A.A, Hausmann, J. | 登録日 | 2021-07-11 | 公開日 | 2022-12-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Linking medicinal cannabis to autotaxin-lysophosphatidic acid signaling. Life Sci Alliance, 6, 2023
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6IX8
| The structure of LepI C52A in complex with SAM and its substrate analogue | 分子名称: | (1R,2R,4aS,8S,8aR)-2,8-dimethyl-5'-phenyl-4a,5,6,7,8,8a-hexahydro-2H,2'H-spiro[naphthalene-1,3'-pyridine]-2',4'(1'H)-dione, 1,2-ETHANEDIOL, ACETATE ION, ... | 著者 | Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J. | 登録日 | 2018-12-09 | 公開日 | 2019-07-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.659 Å) | 主引用文献 | Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI. Nat.Chem., 11, 2019
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3QW7
| Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RRFC | 分子名称: | Botulinum neurotoxin type A, SODIUM ION, SULFATE ION, ... | 著者 | Kumaran, D, Swaminathan, S. | 登録日 | 2011-02-27 | 公開日 | 2012-02-08 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling. Acta Crystallogr.,Sect.D, 68, 2012
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6J05
| Structures of two ArsR As(III)-responsive repressors: implications for the mechanism of derepression | 分子名称: | ARSENIC, SODIUM ION, Transcriptional regulator ArsR | 著者 | Prabaharan, C, Kandavelu, P, Packianathan, C, Rosen, P.B, Thiyagarajan, S. | 登録日 | 2018-12-21 | 公開日 | 2019-07-03 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Structures of two ArsR As(III)-responsive transcriptional repressors: Implications for the mechanism of derepression. J.Struct.Biol., 207, 2019
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7PJY
| Structure of the 70S-EF-G-GDP ribosome complex with tRNAs in chimeric state 1 (CHI1-EF-G-GDP) | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | 著者 | Petrychenko, V, Peng, B.Z, Schwarzer, A.C, Peske, F, Rodnina, M.V, Fischer, N. | 登録日 | 2021-08-24 | 公開日 | 2021-10-20 | 最終更新日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural mechanism of GTPase-powered ribosome-tRNA movement. Nat Commun, 12, 2021
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3QW6
| Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RYGC | 分子名称: | Botulinum neurotoxin type A, SODIUM ION, SULFATE ION, ... | 著者 | Kumaran, D, Swaminathan, S. | 登録日 | 2011-02-26 | 公開日 | 2012-02-08 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling. Acta Crystallogr.,Sect.D, 68, 2012
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5M07
| Crystal structure of Mycobacterium tuberculosis PknI kinase domain, C20A mutant | 分子名称: | SODIUM ION, Serine/threonine-protein kinase PknI | 著者 | Lisa, M.N, Wagner, T, Alexandre, M, Barilone, N, Raynal, B, Alzari, P.M, Bellinzoni, M. | 登録日 | 2016-10-03 | 公開日 | 2017-01-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The crystal structure of PknI from Mycobacterium tuberculosis shows an inactive, pseudokinase-like conformation. FEBS J., 284, 2017
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5M09
| Crystal structure of Mycobacterium tuberculosis PknI kinase domain, C20A_R136N double mutant | 分子名称: | SODIUM ION, Serine/threonine-protein kinase PknI | 著者 | Lisa, M.N, Wagner, T, Alexandre, M, Barilone, N, Raynal, B, Alzari, P.M, Bellinzoni, M. | 登録日 | 2016-10-03 | 公開日 | 2017-01-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | 主引用文献 | The crystal structure of PknI from Mycobacterium tuberculosis shows an inactive, pseudokinase-like conformation. FEBS J., 284, 2017
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7PJS
| Structure of the 70S ribosome with tRNAs in the classical pre-translocation state and apramycin (C) | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | 著者 | Petrychenko, V, Peng, B.Z, Schwarzer, A.C, Peske, F, Rodnina, M.V, Fischer, N. | 登録日 | 2021-08-24 | 公開日 | 2021-10-20 | 最終更新日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (2.35 Å) | 主引用文献 | Structural mechanism of GTPase-powered ribosome-tRNA movement Nat Commun, 12, 2021
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5M1D
| Crystal structure of N-terminally tagged UbiD from E. coli reconstituted with prFMN cofactor | 分子名称: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, MANGANESE (II) ION, ... | 著者 | Marshall, S.A, Leys, D. | 登録日 | 2016-10-07 | 公開日 | 2017-01-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Oxidative Maturation and Structural Characterization of Prenylated FMN Binding by UbiD, a Decarboxylase Involved in Bacterial Ubiquinone Biosynthesis. J. Biol. Chem., 292, 2017
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