6CKW
 
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-((7-(((S)-2-amino-2-(2-methoxyphenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)-3-(3-chlorophenyl)propanenitrile | | 分子名称: | (3R)-3-[(7-{[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | | 著者 | Mamo, M, Appleton, B.A. | | 登録日 | 2018-03-01 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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6FFL
 | | Maltose/maltodextrin-binding domain MalE from Bdellovibrio bacteriovorus bound to maltotriose | | 分子名称: | Maltose/maltodextrin transport permease homologue, PLATINUM (II) ION, SULFATE ION, ... | | 著者 | Licht, A, Werther, T, Bommer, M, Neumann, K, Schneider, E. | | 登録日 | 2018-01-08 | | 公開日 | 2018-01-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.707 Å) | | 主引用文献 | Structural and functional characterization of a maltose/maltodextrin ABC transporter comprising a single solute binding domain (MalE) fused to the transmembrane subunit MalF.
Res. Microbiol., 170, 2018
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7NKW
 | | Endothiapepsin structure obtained at 298K after a soaking with fragment JFD03909 from a dataset collected with JUNGFRAU detector | | 分子名称: | DIMETHYL SULFOXIDE, Endothiapepsin | | 著者 | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | | 登録日 | 2021-02-19 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Endothiapepsin structure obtained at 298K after a soaking with fragment JFD03909 from a dataset collected with JUNGFRAU detector
To Be Published
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6QH6
 | | AP2 clathrin adaptor core with two cargo peptides in open+ conformation | | 分子名称: | AP-2 complex subunit alpha, AP-2 complex subunit beta, AP-2 complex subunit mu, ... | | 著者 | Wrobel, A.G, Owen, D.J, McCoy, A.J, Evans, P.R. | | 登録日 | 2019-01-15 | | 公開日 | 2019-09-04 | | 最終更新日 | 2022-12-07 | | 実験手法 | X-RAY DIFFRACTION (5 Å) | | 主引用文献 | Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation.
Dev.Cell, 50, 2019
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6CHO
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-2-((1-(3-(4-methoxyphenoxy)phenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | | 分子名称: | 2-({(1R)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION, ... | | 著者 | Mamo, M, Appleton, B.A. | | 登録日 | 2018-02-22 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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3M6V
 | | Multi-site-specific 16S rRNA methyltransferase RsmF from Thermus thermophilus in space group P2 in complex with S-Adenosyl-L-Methionine | | 分子名称: | S-ADENOSYLMETHIONINE, rRNA methylase | | 著者 | Demirci, H, Larsen, H.G.L, Hansen, T, Rasmussen, A, Cadambi, A, Gregory, S.T, Kirpekar, F, Jogl, G. | | 登録日 | 2010-03-16 | | 公開日 | 2010-03-31 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Multi-site-specific 16S rRNA methyltransferase RsmF from Thermus thermophilus.
Rna, 16, 2010
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6T98
 | | Trypanothione Reductase from Leishmania infantum in complex with 9a | | 分子名称: | 4-[3-methyl-1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-3-ium-4-yl]butan-1-amine, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Carriles, A.A, Hermoso, J.A. | | 登録日 | 2019-10-26 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Identification of 1,2,3-triazolium salt-based inhibitors of Leishmania infantum trypanothione disulfide reductase with enhanced antileishmanial potency in cellulo and increased selectivity.
Eur.J.Med.Chem., 244, 2022
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6XKB
 | | Crystal structure of SR-related and CTD-associated factor 4(SCAF4-CID)with peptide S2,S5p-CTD | | 分子名称: | S2,S5p-CTD peptide, SR-related and CTD-associated factor 4, UNKNOWN ATOM OR ION | | 著者 | Zhou, M.Q, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2020-06-26 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural basis for the recognition of the S2, S5-phosphorylated RNA polymerase II CTD by the mRNA anti-terminator protein hSCAF4.
Febs Lett., 596, 2022
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5N7H
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8P1I
 | | Single particle cryo-EM co-structure of Klebsiella pneumoniae AcrB with the BDM91288 efflux pump inhibitor at 2.97 Angstrom resolution | | 分子名称: | 1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL), 3-chloranyl-2,6-di(piperazin-4-ium-1-yl)quinoline, Efflux pump membrane transporter, ... | | 著者 | Boernsen, C, Mueller, R.T, Pos, K.M, Frangakis, A.S. | | 登録日 | 2023-05-12 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | | 主引用文献 | Pyridylpiperazine efflux pump inhibitor boosts in vivo antibiotic efficacy against K. pneumoniae.
Embo Mol Med, 16, 2024
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6FBH
 | | KlenTaq DNA polymerase processing a modified primer - bearing the modification upstream at the sixth primer nucleotide. | | 分子名称: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*AP*AP*AP*CP*GP*TP*CP*CP*GP*GP*TP*GP*GP*GP*TP*C)-3'), ... | | 著者 | Kropp, H.M, Diederichs, K, Marx, A. | | 登録日 | 2017-12-19 | | 公開日 | 2018-09-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Snapshots of a modified nucleotide moving through the confines of a DNA polymerase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5N7K
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6FID
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7ZGN
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4YTG
 | | Crystal structure of Porphyromonas gingivalis peptidylarginine deiminase (PPAD) mutant C351A in complex with dipeptide Met-Arg. | | 分子名称: | ARGININE, AZIDE ION, CHLORIDE ION, ... | | 著者 | Goulas, T, Mizgalska, D, Garcia-Ferrer, I, Kantyka, T, Guevara, T, Szmigielski, B, Sroka, A, Millan, C, Uson, I, Veillard, F, Potempa, B, Mydel, P, Sola, M, Potempa, J, Gomis-Ruth, F.X. | | 登録日 | 2015-03-17 | | 公開日 | 2015-07-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure and mechanism of a bacterial host-protein citrullinating virulence factor, Porphyromonas gingivalis peptidylarginine deiminase.
Sci Rep, 5, 2015
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6QJD
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8C23
 | | Structure of E. coli Class 2 L-asparaginase EcAIII, mutant M200T (monoclinic form M200T#m) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | Sciuk, A, Ruszkowski, M, Jaskolski, M, Loch, J.I. | | 登録日 | 2022-12-21 | | 公開日 | 2023-05-03 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.842 Å) | | 主引用文献 | The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII.
Protein Sci., 32, 2023
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3M8S
 | | Crystal structure of the large fragment of DNA polymerase I from Thermus aquaticus in a closed ternary complex with trapped 4'-methylated dTTP | | 分子名称: | 4'-methylthymidine 5'-(tetrahydrogen triphosphate), ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Diederichs, K, Marx, A, Betz, K. | | 登録日 | 2010-03-19 | | 公開日 | 2010-07-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structures of DNA polymerases caught processing size-augmented nucleotide probes.
Angew.Chem.Int.Ed.Engl., 49, 2010
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6MZZ
 | | Fluoroacetate dehalogenase, room temperature structure, using first 1 degree of total 3 degree oscillation | | 分子名称: | CALCIUM ION, Fluoroacetate dehalogenase | | 著者 | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | | 登録日 | 2018-11-06 | | 公開日 | 2019-03-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
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6QHD
 | | Lysine acetylated and tyrosine phosphorylated STAT3 in a complex with DNA | | 分子名称: | DNA (5'-D(*AP*AP*GP*AP*TP*TP*TP*AP*CP*GP*GP*GP*AP*AP*AP*TP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*AP*TP*TP*TP*CP*CP*CP*GP*TP*AP*AP*AP*TP*CP*T)-3'), Signal transducer and activator of transcription 3 | | 著者 | Arbely, E, Belo, Y, Shahar, A, Zarivach, R. | | 登録日 | 2019-01-16 | | 公開日 | 2019-06-19 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Unexpected implications of STAT3 acetylation revealed by genetic encoding of acetyl-lysine.
Biochim Biophys Acta Gen Subj, 1863, 2019
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8SV8
 | | Cryo-EM structure of a double loaded human UBA7-UBE2L6-ISG15 thioester mimetic complex from a composite map | | 分子名称: | ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ... | | 著者 | Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K. | | 登録日 | 2023-05-15 | | 公開日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (3.38 Å) | | 主引用文献 | Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer.
Nat Commun, 14, 2023
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4YU2
 | | Crystal structure of DYRK1A with harmine-derivatized AnnH-75 inhibitor | | 分子名称: | (1-chloro-7-methoxy-9H-beta-carbolin-9-yl)acetonitrile, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | | 著者 | Chaikuad, A, Wurzlbauer, A, Nowak, R, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2015-03-18 | | 公開日 | 2015-03-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | How to Separate Kinase Inhibition from Undesired Monoamine Oxidase A Inhibition-The Development of the DYRK1A Inhibitor AnnH75 from the Alkaloid Harmine.
Molecules, 25, 2020
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7RQD
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with protein Y, A-site deacylated tRNA analog CACCA, P-site MTI-tripeptidyl-tRNA analog ACCA-ITM, and chloramphenicol at 2.50A resolution | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | 著者 | Syroegin, E.A, Flemmich, L, Klepacki, D, Vazquez-Laslop, N, Micura, R, Polikanov, Y.S. | | 登録日 | 2021-08-06 | | 公開日 | 2022-01-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for the context-specific action of the classic peptidyl transferase inhibitor chloramphenicol.
Nat.Struct.Mol.Biol., 29, 2022
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6CCO
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5N9R
 | | Crystal structure of USP7 in complex with a potent, selective and reversible small-molecule inhibitor | | 分子名称: | 7-bromanyl-3-[[4-oxidanyl-1-[(3~{R})-3-phenylbutanoyl]piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Harrison, T, Gavory, G, O'Dowd, C, Helm, M, Flasz, I, Arkoudis, E, Dossang, A, Hughes, C, Cassidy, E, McClelland, K, Odrzywol, E, Page, N, Barker, O, Miel, H. | | 登録日 | 2017-02-27 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Discovery and characterization of highly potent and selective allosteric USP7 inhibitors.
Nat. Chem. Biol., 14, 2018
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