5JOF
 
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5KE3
 | | Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a | | 分子名称: | (S)-N-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide, BETA-MERCAPTOETHANOL, Histone-lysine N-methyltransferase SETDB1, ... | | 著者 | Dong, A, Iqbal, A, Mader, P, Dobrovetsky, E, Ferreira de Freitas, R, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Schapira, M, Brown, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2016-06-09 | | 公開日 | 2016-08-03 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a
to be published
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5K6H
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3SVM
 | | Human MPP8 - human DNMT3AK47me2 peptide | | 分子名称: | DNA (cytosine-5)-methyltransferase 3A, M-phase phosphoprotein 8 | | 著者 | Chang, Y, Horton, J.R, Zhang, X, Cheng, X. | | 登録日 | 2011-07-12 | | 公開日 | 2011-11-30 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | MPP8 mediates the interactions between DNA methyltransferase Dnmt3a and H3K9 methyltransferase GLP/G9a.
Nat Commun, 2, 2011
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3SZM
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6NSD
 | | Tar14, tryptophan C-6 flavin-dependent halogenase (chlorinase) from taromycin biosynthesis | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, Tryptophan halogenase | | 著者 | Luhavaya, H, Chekan, J.R, Moore, B.S. | | 登録日 | 2019-01-24 | | 公開日 | 2019-04-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Biosynthesis of l-4-Chlorokynurenine, an Antidepressant Prodrug and a Non-Proteinogenic Amino Acid Found in Lipopeptide Antibiotics.
Angew.Chem.Int.Ed.Engl., 58, 2019
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6NSX
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5IUZ
 | | STRUCTURE OF P450 2B4 F202W MUTANT (CYMAL-5) | | 分子名称: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Jang, H.-H, Halpert, J.R, Shah, M.B. | | 登録日 | 2016-03-18 | | 公開日 | 2016-06-08 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Effect of detergent binding on cytochrome P450 2B4 structure as analyzed by X-ray crystallography and deuterium-exchange mass spectrometry.
Biophys.Chem., 216, 2016
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1S3V
 | | Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry | | 分子名称: | (2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine, Dihydrofolate reductase, SULFATE ION | | 著者 | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F. | | 登録日 | 2004-01-14 | | 公開日 | 2004-03-30 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry.
Acta Crystallogr.,Sect.D, 60, 2004
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3PU3
 | | PHF2 Jumonji domain-NOG complex | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, N-OXALYLGLYCINE, ... | | 著者 | Horton, J.R, Upadhyay, A.K, Hashimoto, H, Zhang, X, Cheng, X. | | 登録日 | 2010-12-03 | | 公開日 | 2011-01-26 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural basis for human PHF2 Jumonji domain interaction with metal ions.
J.Mol.Biol., 406, 2011
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6N95
 | | Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-CoA | | 分子名称: | (2R)-sulfonatepropionyl-CoA, (2S)-sulfonatepropionyl-CoA, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R. | | 登録日 | 2018-11-30 | | 公開日 | 2019-04-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | | 主引用文献 | Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
J. Am. Chem. Soc., 141, 2019
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5J44
 | | Crystal structure of the Secreted Extracellular protein A (SepA) from Shigella flexneri | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Serine protease SepA autotransporter | | 著者 | Birtley, J.R, Stern, L.J, McCormick, B, Maldonado-Contreras, A. | | 登録日 | 2016-03-31 | | 公開日 | 2017-04-12 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.912 Å) | | 主引用文献 | Shigella depends on SepA to destabilize the intestinal epithelial integrity via cofilin activation.
Gut Microbes, 8, 2017
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3Q2P
 | | Reduced sweetness of a monellin (MNEI) mutant results from increased protein flexibility and disruption of a distant poly-(L-proline) II helix | | 分子名称: | Monellin chain B/Monellin chain A chimeric protein, SODIUM ION | | 著者 | Templeton, C.M, Hobbs, J.R, Munger, S.D, Conn, G.L. | | 登録日 | 2010-12-20 | | 公開日 | 2011-04-06 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.341 Å) | | 主引用文献 | Reduced Sweetness of a Monellin (MNEI) Mutant Results from Increased Protein Flexibility and Disruption of a Distant Poly-(L-Proline) II Helix.
Chem Senses, 36, 2011
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3PHE
 | | HCV NS5B with a bound quinolone inhibitor | | 分子名称: | 4-chlorobenzyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate, HCV encoded nonstructural 5B protein | | 著者 | Somoza, J.R, To, N, Lehoux, I. | | 登録日 | 2010-11-03 | | 公開日 | 2010-11-17 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Quinolones as HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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6OA9
 | | Cdc48-Npl4 complex processing poly-ubiquitinated substrate in the presence of ATP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 48, ... | | 著者 | Twomey, E.C, Ji, Z, Wales, T.E, Bodnar, N.O, Engen, J.R, Rapoport, T.A. | | 登録日 | 2019-03-15 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Substrate processing by the Cdc48 ATPase complex is initiated by ubiquitin unfolding.
Science, 365, 2019
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3T1N
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6N94
 | | Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-amino(dethia)-CoA | | 分子名称: | DI(HYDROXYETHYL)ETHER, IMIDAZOLE, Methylmalonyl-CoA decarboxylase, ... | | 著者 | Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R. | | 登録日 | 2018-11-30 | | 公開日 | 2019-04-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
J. Am. Chem. Soc., 141, 2019
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6OIL
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5JMS
 | | Crystal structure of TgCDPK1 bound to CGP060476 | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Calmodulin-domain protein kinase 1, ... | | 著者 | El Bakkouri, M, Walker, J.R, Loppnau, P, Graslund, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Lovato, D.V, Structural Genomics Consortium (SGC) | | 登録日 | 2016-04-29 | | 公開日 | 2016-05-18 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of TgCDPK1bount to CGP060476
To Be Published
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5JO5
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6O8U
 | | Crystal structure of IRAK4 in complex with compound 23 | | 分子名称: | GLYCEROL, Interleukin-1 receptor-associated kinase 4, N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, ... | | 著者 | Kiefer, J.R, Yu, C, Drobnick, J, Bryan, M.C, Lupardus, P.J. | | 登録日 | 2019-03-12 | | 公開日 | 2019-05-22 | | 最終更新日 | 2019-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
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5IZD
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6OK8
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS K127L at cryogenic temperature | | 分子名称: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | 著者 | Jeliazkov, J.R, Robinson, A.C, Berger, J.M, Garcia-Moreno E, B, Gray, J.G. | | 登録日 | 2019-04-12 | | 公開日 | 2019-05-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Toward the computational design of protein crystals with improved resolution.
Acta Crystallogr D Struct Biol, 75, 2019
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6OAA
 | | Cdc48-Npl4 complex processing poly-ubiquitinated substrate in the presence of ADP-BeFx, state 1 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division control protein 48, ... | | 著者 | Twomey, E.C, Ji, Z, Wales, T.E, Bodnar, N.O, Engen, J.R, Rapoport, T.A. | | 登録日 | 2019-03-15 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Substrate processing by the Cdc48 ATPase complex is initiated by ubiquitin unfolding.
Science, 365, 2019
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1SKM
 | | HhaI methyltransferase in complex with DNA containing an abasic south carbocyclic sugar at its target site | | 分子名称: | 5'-D(*T*GP*TP*CP*AP*GP*(HCX)P*GP*CP*AP*TP*GP*G)-3', 5'-D(*TP*CP*CP*AP*TP*GP*CP*GP*CP*TP*GP*AP*C)-3', Modification methylase HhaI, ... | | 著者 | Horton, J.R, Ratner, G, Banavali, N, Huang, N, Marquez, V.E, MacKerell, A.D, Cheng, X. | | 登録日 | 2004-03-05 | | 公開日 | 2004-08-24 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Caught in the act: visualization of an intermediate in the DNA base-flipping pathway induced by HhaI methyltransferase
Nucleic Acids Res., 32, 2004
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