7D4A
 
 | | The Crystal Structure of human JMJD2A Tudor domain from Biortus | | 分子名称: | Lysine-specific demethylase 4A, SULFATE ION | | 著者 | Wang, F, Lv, Z, Cheng, W, Lin, D, Ju, C, Bao, X, Zhu, B. | | 登録日 | 2020-09-23 | | 公開日 | 2020-10-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.201 Å) | | 主引用文献 | The Crystal Structure of human JMJD2A from Biortus.
To Be Published
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5U0T
 | | Crystal structure of a methyltransferase involved in the biosynthesis of gentamicin in complex with (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-3-(methylamino)-alpha-D-glucopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside | | 分子名称: | (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-3-(methylamino)-alpha-D-glucopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, MAGNESIUM ION, Putative gentamicin methyltransferase, ... | | 著者 | Bury, P, Huang, F, Leadlay, P, Dias, M.V.B. | | 登録日 | 2016-11-27 | | 公開日 | 2017-11-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.109 Å) | | 主引用文献 | Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis.
ACS Chem. Biol., 12, 2017
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6G3Y
 | | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH5675 | | 分子名称: | 4-(4-azanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide, ACETATE ION, N-glycosylase/DNA lyase, ... | | 著者 | Masuyer, G, Helleday, T, Stenmark, P. | | 登録日 | 2018-03-26 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Small-molecule inhibitor of OGG1 suppresses proinflammatory gene expression and inflammation.
Science, 362, 2018
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5KYE
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6PR9
 | | S. aureus dihydrofolate reductase co-crystallized with 1-ethylpropyl-dihydropthalazine inhibitor and NADP(H) | | 分子名称: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(pentan-3-yl)-3,4-dihydrophthalazin-2(1H)-yl]prop-2-en-1-one, Dihydrofolate reductase, GLYCEROL, ... | | 著者 | Bourne, C.R, Thomas, L.M. | | 登録日 | 2019-07-10 | | 公開日 | 2020-06-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Inhibitor design to target a unique feature in the folate pocket of Staphylococcus aureus dihydrofolate reductase.
Eur.J.Med.Chem., 200, 2020
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6FNR
 | | Ergothioneine-biosynthetic methyltransferase EgtD in complex with chlorohistidine | | 分子名称: | (2~{S})-2-chloranyl-3-(1~{H}-imidazol-5-yl)propanoic acid, GLYCEROL, Histidine N-alpha-methyltransferase, ... | | 著者 | Vit, A, Blankenfeldt, W, Seebeck, F.P. | | 登録日 | 2018-02-05 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD.
ACS Chem. Biol., 13, 2018
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6YP8
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6MH9
 | | The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein A121I mutant to 2.02 Angstrom resolution | | 分子名称: | Fatty Acid Kinase (Fak) B1 protein, PALMITIC ACID | | 著者 | Cuypers, M.G, Ericson, M, Subramanian, C, White, S.W, Rock, C.O. | | 登録日 | 2018-09-17 | | 公開日 | 2019-11-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Identification of structural transitions in bacterial fatty acid binding proteins that permit ligand entry and exit at membranes.
J.Biol.Chem., 298, 2022
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6YPD
 | | Crystal structure of AmpC from E. coli with Cyclic Boronate 3 (CB3 / APC308) | | 分子名称: | (3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ... | | 著者 | Lang, P.A, Brem, J, Schofield, C.J. | | 登録日 | 2020-04-15 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Bicyclic Boronates as Potent Inhibitors of AmpC, the Class C beta-Lactamase from Escherichia coli .
Biomolecules, 10, 2020
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5U0Z
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6YQ3
 | | Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis | | 分子名称: | (3~{R})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione, 1,2-ETHANEDIOL, Monooxygenase, ... | | 著者 | Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P. | | 登録日 | 2020-04-16 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway.
Acs Chem.Biol., 15, 2020
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5U17
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5L1O
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6G4Q
 | | Structure of human ADP-forming succinyl-CoA ligase complex SUCLG1-SUCLA2 | | 分子名称: | 1,2-ETHANEDIOL, Succinate--CoA ligase [ADP-forming] subunit beta, mitochondrial, ... | | 著者 | Bailey, H.J, Shrestha, L, Rembeza, E, Sorrell, F.J, Newman, J, Strain-Damerell, C, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | | 登録日 | 2018-03-28 | | 公開日 | 2018-04-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Structure of human ADP-forming succinyl-CoA ligase complex SUCLG1-SUCLA2
To Be Published
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7DJQ
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8OT8
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5L7G
 | | MCR IN COMPLEX WITH ligand | | 分子名称: | 1,2-ETHANEDIOL, Mineralocorticoid receptor, NCOA1 peptide, ... | | 著者 | Edman, K, Aagaard, A, Backstrom, S, Xue, Y. | | 登録日 | 2016-06-03 | | 公開日 | 2016-12-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Structure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity.
ChemMedChem, 12, 2017
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5FHH
 | | Structure of human Pif1 helicase domain residues 200-641 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase PIF1, TETRAFLUOROALUMINATE ION | | 著者 | Zhou, X, Ren, W, Bharath, S.R, Song, H. | | 登録日 | 2015-12-22 | | 公開日 | 2016-03-30 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1
Cell Rep, 14, 2016
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6GAM
 | | Structure of E14Q variant of E. coli hydrogenase-2 (as-isolated enzyme) | | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, Hydrogenase-2 large chain, ... | | 著者 | Carr, S.B, Armstrong, F.A, Evans, R.M. | | 登録日 | 2018-04-11 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase.
J. Am. Chem. Soc., 140, 2018
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5L7N
 | | Plexin A1 extracellular fragment, domains 7-10 (IPT3-IPT6) | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Kong, Y, Janssen, B.J.C, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y. | | 登録日 | 2016-06-03 | | 公開日 | 2017-03-15 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
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5U2V
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6G54
 | | Crystal structure of ERK2 covalently bound to SM1-71 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Mitogen-activated protein kinase 1, ... | | 著者 | Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-03-29 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.
Cell Chem Biol, 26, 2019
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6YQN
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW9 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide | | 著者 | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-04-17 | | 公開日 | 2020-05-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
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6V6Q
 | | Crystal Structure of Monophosphorylated FGF Receptor 2 isoform IIIb with PTR657 | | 分子名称: | Fibroblast growth factor receptor 2, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | 著者 | Lin, C.-C, Wieteska, L, Poncet-Montange, G, Suen, K.M, Arold, S.T, Ahmed, Z, Ladbury, J.E. | | 登録日 | 2019-12-05 | | 公開日 | 2020-11-11 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | The combined action of the intracellular regions regulates FGFR2 kinase activity
Commun Biol, 6, 2023
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6YR4
 | | Dye-type peroxidase DtpB in the ferryl state: Spectroscopically Validated composite structure | | 分子名称: | MAGNESIUM ION, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Lucic, M, Dworkowski, F.S.N, Worrall, J.A.R, Hough, M.A. | | 登録日 | 2020-04-19 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Serial Femtosecond Zero Dose Crystallography Captures a Water-Free Distal Heme Site in a Dye-Decolorising Peroxidase to Reveal a Catalytic Role for an Arginine in Fe IV =O Formation.
Angew.Chem.Int.Ed.Engl., 59, 2020
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