7TQG
 
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8Q9P
 | | Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC5 deacetylase binding motif | | 分子名称: | HDAC5 (histone deacetylase 5) binding motif peptide: TRP-GLY-SER-GLY-GLU-VAL-LYS-LEU-ARG-LEU-GLN-GLU-PHE-LEU-LEU-SER-LYS-SER, MADS box dsDNA fw: AACTATTTATAAGA, MADS box dsNA rev:TCTTATAAATAGTT, ... | | 著者 | Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | | 登録日 | 2023-08-20 | | 公開日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
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8TCR
 | | Structure of glucose bound Alistipes sp. 3-Keto-beta-glucopyranoside-1,2-Lyase AL1 | | 分子名称: | COBALT (II) ION, MALONATE ION, Sugar phosphate isomerase, ... | | 著者 | Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J. | | 登録日 | 2023-07-02 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
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5TDE
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5FSH
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6MEJ
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6MEW
 | | RFXANK ankyrin repeats in complex with a RFX7 peptide | | 分子名称: | DNA-binding protein RFXANK, RFX7 peptide, UNKNOWN ATOM OR ION | | 著者 | Tempel, W, Xu, C, Dong, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2018-09-07 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | RFXANK ankyrin repeats in complex with a RFX7 peptide
to be published
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7XQ7
 | | The complex structure of WT-Mpro | | 分子名称: | 3C-like proteinase nsp5, SODIUM ION | | 著者 | Sahoo, P, Lenka, D.R, Kumar, A. | | 登録日 | 2022-05-06 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2).
Acs Pharmacol Transl Sci, 6, 2023
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5TEH
 | | c-Src V281C kinase domain in complex with Rao-IV-156 | | 分子名称: | (2S)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanamide, Proto-oncogene tyrosine-protein kinase Src | | 著者 | Dieter, E.M, Merritt, E.A, Maly, D.J. | | 登録日 | 2016-09-21 | | 公開日 | 2017-09-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | A combined approach reveals a regulatory mechanism coupling Src's kinase activity, localization, and phosphotransferase-independent functions
Mol.Cell, 2019
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7XWX
 | | Crystal structure of SARS-CoV-2 N-CTD | | 分子名称: | Nucleoprotein, PHOSPHATE ION | | 著者 | Luan, X.D, Li, X.M, Li, Y.F. | | 登録日 | 2022-05-27 | | 公開日 | 2023-02-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein.
Sci Bull (Beijing), 67, 2022
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8QZE
 | | Heme-domain BM3 variant 21B3_F87V-A328F | | 分子名称: | Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, IMIDAZOLE, ... | | 著者 | Opperman, D.J, Ebrecht, A.C, Aschenbrenner, J.C. | | 登録日 | 2023-10-27 | | 公開日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Revisiting strategies and their combinatorial effect for introducing peroxygenase activity in CYP102A1 (P450BM3)
Mol Catal, 557, 2024
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8TDC
 | | Structure of PYCR1 complexed with NADH and 1,3-dithiane-2-carboxylic acid | | 分子名称: | 1,3-dithiane-2-carboxylic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Pyrroline-5-carboxylate reductase 1, ... | | 著者 | Tanner, J.J, Meeks, K.R. | | 登録日 | 2023-07-02 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1).
Protein Sci., 33, 2024
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8QH4
 | | Crystal structure of reduced respiratory Complex I subunits NuoEF from Aquifex aeolicus bound to oxidized 3-acetylpyridine adenine dinucleotide | | 分子名称: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Wohlwend, D, Friedrich, T. | | 登録日 | 2023-09-06 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Structures of 3-acetylpyridine adenine dinucleotide and ADP-ribose bound to the electron input module of respiratory complex I.
Structure, 32, 2024
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6MFL
 | | Structure of siderophore binding protein BauB bound to a complex between two molecules of acinetobactin and ferric iron. | | 分子名称: | 1,2-ETHANEDIOL, FE (III) ION, Siderophore Binding Protein BauB, ... | | 著者 | Gulick, A.M, Bailey, D.C, Wencewicz, T.A. | | 登録日 | 2018-09-11 | | 公開日 | 2018-11-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal Structure of the Siderophore Binding Protein BauB Bound to an Unusual 2:1 Complex Between Acinetobactin and Ferric Iron.
Biochemistry, 57, 2018
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5TFN
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5C1B
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7P8Y
 | | Short wilavidin apo form | | 分子名称: | DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, PENTAETHYLENE GLYCOL, ... | | 著者 | Avraham, O, Livnah, O. | | 登録日 | 2021-07-23 | | 公開日 | 2021-11-17 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Wilavidin - a novel member of the avidin family that forms unique biotin-binding hexamers.
Febs J., 289, 2022
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5TG2
 | | 1.75 A resolution structure of Norovirus 3CL protease in complex with the a n-pentyl substituted macrocyclic inhibitor (17-mer) | | 分子名称: | (4S,7S,17R)-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione, 3C-LIKE PROTEASE | | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Kankanamalage, A.C.G, Chang, K.-O, Groutas, W.C. | | 登録日 | 2016-09-27 | | 公開日 | 2017-01-11 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Design, synthesis, and evaluation of a novel series of macrocyclic inhibitors of norovirus 3CL protease.
Eur J Med Chem, 127, 2016
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8QKA
 | | Structure of K. pneumoniae LpxH in complex with JEDI-852 | | 分子名称: | 2-[methyl(methylsulfonyl)amino]-~{N}-(4-piperidin-1-ylsulfonylphenyl)benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | | 著者 | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | | 登録日 | 2023-09-14 | | 公開日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7U4C
 | | Borrelia burgdorferi HtpG N-terminal domain (1-228) in complex with BX-2819 | | 分子名称: | Chaperone protein HtpG, ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate | | 著者 | Kowalewski, M.E, Lietzan, A, Haystead, T, Redinbo, M.R. | | 登録日 | 2022-02-28 | | 公開日 | 2023-03-08 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Targeting Borrelia burgdorferi HtpG with a berserker molecule, a strategy for anti-microbial development.
Cell Chem Biol, 2023
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8QNR
 | | Crystal structure of ancestral L-galactono-1,4-lactone dehydrogenase: G413N variant in complex with L-gulono-1,4-lactone | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, L-galactono-1,4-lactone dehydrogenase, L-gulono-1,4-lactone | | 著者 | Boverio, A, Mattevi, A. | | 登録日 | 2023-09-27 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of ancestral L-galactono-1,4-lactone dehydrogenase: G413N variant in complex with L-gulono-1,4-lactone
To Be Published
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8K14
 | | X-ray crystal structure of 18a in BRD4(1) | | 分子名称: | 4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 4 | | 著者 | Xu, H, Shen, H, Zhang, Y, Xu, Y, Li, R. | | 登録日 | 2023-07-10 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Discovery of (R)-4-(8-methoxy-2-methyl-1-(1-phenylethy)-1H-imidazo[4,5-c]quinnolin-7-yl)-3,5-dimethylisoxazole as a potent and selective BET inhibitor for treatment of acute myeloid leukemia (AML) guided by FEP calculation.
Eur.J.Med.Chem., 263, 2024
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8TX6
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5C4U
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8TD9
 | | Structure of PYCR1 complexed with NADH and L-pipecolic acid | | 分子名称: | (2S)-piperidine-2-carboxylic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Pyrroline-5-carboxylate reductase 1, ... | | 著者 | Tanner, J.J, Meeks, K.R. | | 登録日 | 2023-07-02 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1).
Protein Sci., 33, 2024
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