5LMD
 
 | | The crystal structure of hCA II in complex with a benzoxaborole inhibitor | | 分子名称: | 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(2-methoxy-5-methyl-phenyl)urea, Carbonic anhydrase 2, ZINC ION | | 著者 | De Simone, G, Alterio, V, Esposito, D, Di Fiore, A. | | 登録日 | 2016-07-29 | | 公開日 | 2016-10-19 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Benzoxaborole as a new chemotype for carbonic anhydrase inhibition.
Chem.Commun.(Camb.), 52, 2016
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6SSP
 | | Structure of the pentameric ligand-gated ion channel ELIC in complex with a NAM nanobody | | 分子名称: | CALCIUM ION, Cys-loop ligand-gated ion channel, NANOBODY 21, ... | | 著者 | Ulens, C, Brams, M, Evans, G.L, Spurny, R, Govaerts, C, Pardon, E, Steyaert, J. | | 登録日 | 2019-09-09 | | 公開日 | 2020-02-12 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Modulation of the Erwinia ligand-gated ion channel (ELIC) and the 5-HT 3 receptor via a common vestibule site.
Elife, 9, 2020
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6ZP8
 | | Yeast 20S proteasome in complex with glidobactin-like natural product HB335 | | 分子名称: | (2~{S},3~{R})-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-2-(3-phenylpropanoylamino)butanamide, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Zhao, L, Le Chapelain, C, Brachmann, A.O, Kaiser, M, Groll, M, Bode, H.B. | | 登録日 | 2020-07-08 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Activation, Structure, Biosynthesis and Bioactivity of Glidobactin-like Proteasome Inhibitors from Photorhabdus laumondii.
Chembiochem, 22, 2021
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6ZP3
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 2-Methylindole-3-acetic acid | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid, CALCIUM ION, ... | | 著者 | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | | 登録日 | 2020-07-08 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.
Acs Infect Dis., 7, 2021
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6ZXO
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6ZMQ
 | | Cytochrome c Heme Lyase CcmF | | 分子名称: | Cytochrome C-type biogenesis protein ccmF, DODECYL-BETA-D-MALTOSIDE, PHOSPHATIDYLETHANOLAMINE, ... | | 著者 | Brausemann, A, Einsle, O. | | 登録日 | 2020-07-03 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Architecture of the membrane-bound cytochrome c heme lyase CcmF.
Nat.Chem.Biol., 17, 2021
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5LMY
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6ZOC
 | | Erythromycin binding to the access pocket of AcrB-G616P L protomer and 3-formylrifamycin SV binding to the access pocket of AcrB-G616P T protomer | | 分子名称: | (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, 1,2-ETHANEDIOL, DARPIN, ... | | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | | 登録日 | 2020-07-07 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
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6SW4
 | | The structure of AraP, an arabinose binding protein from Geobacillus stearothermophilus | | 分子名称: | Arabinose binding protein | | 著者 | Lansky, S, Salama, R, Lavid, N, Shoham, Y, Shoham, G. | | 登録日 | 2019-09-19 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.845 Å) | | 主引用文献 | The structure of AraP, an arabinose binding protein from Geobacillus stearothermophilus
To Be Published
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6SVS
 | | Crystal Structure of U:A-U-rich RNA triple helix with 11 consecutive base triples | | 分子名称: | ADENOSINE-5'-PHOSPHATE-2',3'-CYCLIC PHOSPHATE, CALCIUM ION, GLYCEROL, ... | | 著者 | Ruszkowska, A, Ruszkowski, M, Hulewicz, J.P, Dauter, Z, Brown, J.A. | | 登録日 | 2019-09-18 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Molecular structure of a U•A-U-rich RNA triple helix with 11 consecutive base triples.
Nucleic Acids Res., 48, 2020
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5LN4
 | | Crystal structure of self-complemented PsaA, the major subunit of pH 6 antigen from Yersinia pests, in complex with choline | | 分子名称: | CHOLINE ION, pH 6 antigen,pH 6 antigen | | 著者 | Pakharukova, N.A, Roy, S, Rahman, M.M, Tuitilla, M, Zavialov, A.V. | | 登録日 | 2016-08-03 | | 公開日 | 2016-08-24 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Structural basis for Myf and Psa fimbriae-mediated tropism of pathogenic strains of Yersinia for host tissues.
Mol.Microbiol., 102, 2016
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6SW5
 | | Crystal structure of the human S-adenosylmethionine synthetase 1 (ligand-free form) | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, S-adenosylmethionine synthase isoform type-1 | | 著者 | Panmanee, J, Antoyuk, S.V, Hasnain, S.S. | | 登録日 | 2019-09-19 | | 公開日 | 2020-06-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structural basis of the dominant inheritance of hypermethioninemia associated with the Arg264His mutation in the MAT1A gene.
Acta Crystallogr D Struct Biol, 76, 2020
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6ZP6
 | | Yeast 20S proteasome in complex with glidobactin-like natural product HB334 | | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | | 著者 | Zhao, L, Le Chapelain, C, Brachmann, A.O, Kaiser, M, Groll, M, Bode, H.B. | | 登録日 | 2020-07-08 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Activation, Structure, Biosynthesis and Bioactivity of Glidobactin-like Proteasome Inhibitors from Photorhabdus laumondii.
Chembiochem, 22, 2021
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7A1T
 | | A collapsed hexameric state of a de novo coiled-coil assembly: CC-Type2-(GgLaId)4-W19BrPhe. | | 分子名称: | ACETATE ION, CADMIUM ION, CC-Type2-(GgLaId)4-W19BrPhe, ... | | 著者 | Rhys, G.G, Brady, R.L, Woolfson, D.N. | | 登録日 | 2020-08-14 | | 公開日 | 2021-05-19 | | 最終更新日 | 2021-11-17 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Coiled coils 9-to-5: rational de novo design of alpha-helical barrels with tunable oligomeric states.
Chem Sci, 12, 2021
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5LT9
 | | Ligand binding domain of Pseudomonas aeruginosa PAO1 amino acid chemoreceptors PctB in complex with L-Arg | | 分子名称: | ARGININE, GLYCEROL, Methyl-accepting chemotaxis protein PctB, ... | | 著者 | Gavira, J.A, Rico-Jimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T. | | 登録日 | 2016-09-06 | | 公開日 | 2017-09-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | How Bacterial Chemoreceptors Evolve Novel Ligand Specificities
Mbio, 2020
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5LU1
 | | Human 14-3-3 sigma CLU3 mutant complexed with short HSPB6 phosphopeptide | | 分子名称: | 14-3-3 protein sigma, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Heat shock protein beta-6 | | 著者 | Sluchanko, N.N, Beelen, S, Kulikova, A.A, Weeks, S.D, Antson, A.A, Gusev, N.B, Strelkov, S.V. | | 登録日 | 2016-09-07 | | 公開日 | 2017-02-01 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural Basis for the Interaction of a Human Small Heat Shock Protein with the 14-3-3 Universal Signaling Regulator.
Structure, 25, 2017
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6SYE
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5LOC
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6SXE
 | | Crystal Structure of the Voltage-Gated Sodium Channel NavMs (F208L) in complex with Endoxifen (2.6 Angstrom resolution) | | 分子名称: | 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, Endoxifen, HEGA-10, ... | | 著者 | Sula, A, Hollingworth, D, Wallace, B.A. | | 登録日 | 2019-09-25 | | 公開日 | 2021-02-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A tamoxifen receptor within a voltage-gated sodium channel.
Mol.Cell, 81, 2021
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6SZE
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5LYP
 | | Crystal structure of the Tpr Domain of Sgt2. | | 分子名称: | BORATE ION, Small glutamine-rich tetratricopeptide repeat-containing protein 2 | | 著者 | Krysztofinska, E.M, Morgan, R.M.L, Thapaliya, A, Evans, N.J, Murray, J.W, Martinez-Lumbreras, S, Isaacson, R.L. | | 登録日 | 2016-09-28 | | 公開日 | 2017-10-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structure and Interactions of the TPR Domain of Sgt2 with Yeast Chaperones and Ybr137wp.
Front Mol Biosci, 4, 2017
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5LQ3
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6SZQ
 | | Crystal structure of human DDAH-1 | | 分子名称: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | | 著者 | Hennig, S, Vetter, I.R, Schade, D. | | 登録日 | 2019-10-02 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.412 Å) | | 主引用文献 | Discovery ofN-(4-Aminobutyl)-N'-(2-methoxyethyl)guanidine as the First Selective, Nonamino Acid, Catalytic Site Inhibitor of Human Dimethylarginine Dimethylaminohydrolase-1 (hDDAH-1).
J.Med.Chem., 63, 2020
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5LYW
 | | CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX; WITH AN INHIBITOR 6-((R)-2-o-Tolyloxymethyl-pyrrolidin-1-yl)-9H-purine | | 分子名称: | 6-[(2~{R})-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7~{H}-purine, MANGANESE (II) ION, Methionine aminopeptidase 2 | | 著者 | Musil, D, Heinrich, T, Knoechel, T, Lehmann, M. | | 登録日 | 2016-09-28 | | 公開日 | 2017-08-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Novel reversible methionine aminopeptidase-2 (MetAP-2) inhibitors based on purine and related bicyclic templates.
Bioorg. Med. Chem. Lett., 27, 2017
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6SYB
 | | Crystal structure of carbonic anhydrase 2 with (3aR,4S,9bS)-4-(2-chloro-4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide | | 分子名称: | (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Angeli, A, Ferraroni, M. | | 登録日 | 2019-09-27 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal structure of carbonic anhydrase 2 with (3aR,4S,9bS)-4-(2-chloro-4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
To Be Published
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