6X3R
 
 | | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors | | 分子名称: | Peptidyl-prolyl cis-trans isomerase A, methyl (3~{S})-1-[(2~{S})-2-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate | | 著者 | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | | 登録日 | 2020-05-21 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
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6CQW
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with VX(-) and HI-6 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | | 著者 | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | | 登録日 | 2018-03-16 | | 公開日 | 2018-12-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.278 Å) | | 主引用文献 | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
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6REG
 | | Crystal structure of Pizza6-S with Zn2+ | | 分子名称: | GLYCEROL, Pizza6-S, ZINC ION | | 著者 | Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. | | 登録日 | 2019-04-12 | | 公開日 | 2019-07-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Artificial beta-propeller protein-based hydrolases.
Chem.Commun.(Camb.), 55, 2019
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6REK
 | | Crystal structure of Pizza6-SH with Cu2+ | | 分子名称: | COPPER (II) ION, GLYCEROL, Pizza6-SH | | 著者 | Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. | | 登録日 | 2019-04-12 | | 公開日 | 2019-07-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Artificial beta-propeller protein-based hydrolases.
Chem.Commun.(Camb.), 55, 2019
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6X4P
 | | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 28) | | 分子名称: | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | | 著者 | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | | 登録日 | 2020-05-22 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
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7WLD
 | | Cryo-EM structure of the human glycosylphosphatidylinositol transamidase complex at 2.53 Angstrom resolution | | 分子名称: | (4S,7R)-7-[(hexadecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-3,5,8-trioxa-4lambda~5~-phosphahexacosan-1-aminium, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Xu, Y, Li, T, Luo, Y, Chao, Y, Jia, G, Zhou, Z, Su, Z, Qu, Q, Li, D. | | 登録日 | 2022-01-13 | | 公開日 | 2022-04-27 | | 最終更新日 | 2022-06-01 | | 実験手法 | ELECTRON MICROSCOPY (2.53 Å) | | 主引用文献 | Molecular insights into biogenesis of glycosylphosphatidylinositol anchor proteins.
Nat Commun, 13, 2022
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5JNE
 | | E2-SUMO-Siz1 E3-SUMO-PCNA complex | | 分子名称: | E3 SUMO-protein ligase SIZ1,Ubiquitin-like protein SMT3, GLYCEROL, Proliferating cell nuclear antigen, ... | | 著者 | Lima, C.D, Streich Jr, F.C. | | 登録日 | 2016-04-29 | | 公開日 | 2016-08-10 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Capturing a substrate in an activated RING E3/E2-SUMO complex.
Nature, 536, 2016
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5MEN
 | | Human Leukocyte Antigen A02 presenting ILAKFLHWL, in complex with cognate T-Cell Receptor | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Rizkallah, P.J, Lloyd, A, Crowther, M, Cole, D.K, Sewell, A.K. | | 登録日 | 2016-11-16 | | 公開日 | 2016-12-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase.
J. Biol. Chem., 292, 2017
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8DIT
 | | Cryo-EM structure of a HOPS core complex containing Vps33, Vps16, and Vps18 | | 分子名称: | Vacuolar protein sorting-associated protein 16, Vacuolar protein sorting-associated protein 18, Vacuolar protein sorting-associated protein 33 | | 著者 | Port, S.A, Farrell, P.D, Jeffrey, P.D, DiMaio, F, Hughson, F.M. | | 登録日 | 2022-06-29 | | 公開日 | 2022-08-31 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (5.1 Å) | | 主引用文献 | Cryo-EM structure of the HOPS core complex and its implication for SNARE assembly
To Be Published
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6SS5
 | | Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0020187 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | 著者 | Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M. | | 登録日 | 2019-09-06 | | 公開日 | 2020-06-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Extensive sequence and structural evolution of Arginase 2 inhibitory antibodies enabled by an unbiased approach to affinity maturation.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5MF5
 | | PA3825-EAL Mg-CdG Structure | | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Diguanylate phosphodiesterase, MAGNESIUM ION | | 著者 | Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M. | | 登録日 | 2016-11-17 | | 公開日 | 2016-12-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
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6G6Q
 | | Crystal structure of the computationally designed Ika4 protein | | 分子名称: | Ika4 | | 著者 | Noguchi, H, Addy, C, Simoncini, D, Van Meervelt, L, Schiex, T, Zhang, K.Y.J, Tame, J.R.H, Voet, A.R.D. | | 登録日 | 2018-04-01 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Computational design of symmetrical eight-bladed beta-propeller proteins.
IUCrJ, 6, 2019
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5EFH
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with trifluoroketone transition state analogue | | 分子名称: | 1,2-ETHANEDIOL, 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol, BROMIDE ION, ... | | 著者 | Hai, Y, Christianson, D.W. | | 登録日 | 2015-10-23 | | 公開日 | 2016-07-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.162 Å) | | 主引用文献 | Histone deacetylase 6 structure and molecular basis of catalysis and inhibition.
Nat.Chem.Biol., 12, 2016
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5MG9
 | | Putative Ancestral Mamba toxin 1 (AncTx1-W28R/I38S) | | 分子名称: | 1,2-ETHANEDIOL, AncTx1-W28R/I38S, S-1,2-PROPANEDIOL, ... | | 著者 | Stura, E.A, Tepshi, L, Blanchet, G, Mourier, G, Servent, D. | | 登録日 | 2016-11-21 | | 公開日 | 2017-05-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | | 主引用文献 | Ancestral protein resurrection and engineering opportunities of the mamba aminergic toxins.
Sci Rep, 7, 2017
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5MI8
 | | Structure of the phosphomimetic mutant of EF-Tu T383E | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, BETA-MERCAPTOETHANOL, ... | | 著者 | Talavera, A, Hendrix, J, Versees, W, De Gieter, S, Castro-Roa, D, Jurenas, D, Van Nerom, K, Vandenberk, N, Barth, A, De Greve, H, Hofkens, J, Zenkin, N, Loris, R, Garcia-Pino, A. | | 登録日 | 2016-11-27 | | 公開日 | 2017-12-20 | | 最終更新日 | 2019-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Phosphorylation decelerates conformational dynamics in bacterial translation elongation factors.
Sci Adv, 4, 2018
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6ZVO
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6FQS
 | | 3.11A complex of S.Aureus gyrase with imidazopyrazinone T3 and DNA | | 分子名称: | 5-cyclopropyl-8-fluoranyl-7-pyridin-4-yl-imidazo[1,2-a]quinoxalin-4-one, DNA (5'-D(*GP*AP*GP*AP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*TP*CP*TP*T)-3'), DNA gyrase subunit A, ... | | 著者 | Bax, B.D, Germe, T, Basque, E, Maxwell, A. | | 登録日 | 2018-02-14 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | | 主引用文献 | A new class of antibacterials, the imidazopyrazinones, reveal structural transitions involved in DNA gyrase poisoning and mechanisms of resistance.
Nucleic Acids Res., 46, 2018
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7BON
 | | Crystal structure of recombinant horse spleen apo-R52C/E56C/R59C/E63C-Fr | | 分子名称: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | 著者 | Hishikawa, Y, Maity, B, Ito, N, Abe, S, Lu, D, Ueno, T. | | 登録日 | 2020-03-19 | | 公開日 | 2021-01-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Design of Multinuclear Gold Binding Site at the Two-fold Symmetric Interface of the Ferritin Cage
Chem Lett., 49, 2021
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6YO8
 | | Binary complex of 14-3-3 zeta with Glucocorticoid Receptor (GR) pT524 peptide | | 分子名称: | 14-3-3 protein zeta/delta, Glucocorticoid receptor | | 著者 | Munier, C.C, Edman, K, Perry, M.W.D, Ottmann, C. | | 登録日 | 2020-04-14 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Glucocorticoid receptor Thr524 phosphorylation by MINK1 induces interactions with 14-3-3 protein regulators.
J.Biol.Chem., 296, 2021
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5MUV
 | | Atomic structure fitted into a localized reconstruction of bacteriophage phi6 packaging hexamer P4 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Packaging enzyme P4 | | 著者 | Sun, Z, El Omari, K, Sun, X, Ilca, S, Kotecha, A, Stuart, D.I, Poranen, M.M, Huiskonen, J.T. | | 登録日 | 2017-01-14 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (9.1 Å) | | 主引用文献 | Double-stranded RNA virus outer shell assembly by bona fide domain-swapping.
Nat Commun, 8, 2017
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6CJK
 | | Anti HIV Fab 10A | | 分子名称: | ACETATE ION, GLYCEROL, Immunoglobulin Fab heavy chain, ... | | 著者 | Hangartner, L, Ward, A.B, Wilson, I.A, Oyen, D. | | 登録日 | 2018-02-26 | | 公開日 | 2018-08-15 | | 最終更新日 | 2019-12-18 | | 実験手法 | X-RAY DIFFRACTION (1.795 Å) | | 主引用文献 | Electron-Microscopy-Based Epitope Mapping Defines Specificities of Polyclonal Antibodies Elicited during HIV-1 BG505 Envelope Trimer Immunization.
Immunity, 49, 2018
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5MVL
 | | Crystal structure of an A-DNA dodecamer containing 5-bromouracil | | 分子名称: | Brominated DNA dodecamer, MAGNESIUM ION | | 著者 | Hardwick, J.S, Ptchelkine, D, Phillips, S.E.V, Brown, T. | | 登録日 | 2017-01-16 | | 公開日 | 2017-05-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.405 Å) | | 主引用文献 | 5-Formylcytosine does not change the global structure of DNA.
Nat. Struct. Mol. Biol., 24, 2017
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5J31
 | | Crystal structure of 14-3-3zeta in complex with an alkyne cross-linked cyclic peptide derived from ExoS | | 分子名称: | 14-3-3 protein zeta/delta, BENZOIC ACID, Exoenzyme S | | 著者 | Wallraven, K, Cromm, P, Bier, D, Glas, A, Grossmann, T. | | 登録日 | 2016-03-30 | | 公開日 | 2016-10-19 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Constraining an Irregular Peptide Secondary Structure through Ring-Closing Alkyne Metathesis.
Chembiochem, 17, 2016
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5J37
 | | Crystal structure of 60-mer BFDV Capsid Protein in complex with single stranded DNA | | 分子名称: | Beak and feather disease virus capsid protein, PHOSPHATE ION, single stranded DNA | | 著者 | Sarker, S, Raidal, S, Aragao, D, Forwood, J.K. | | 登録日 | 2016-03-30 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural insights into the assembly and regulation of distinct viral capsid complexes.
Nat Commun, 7, 2016
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4WGX
 | | Crystal Structure of Molinate Hydrolase | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, COBALT (II) ION, Molinate hydrolase | | 著者 | Sugrue, E, Carr, P.D, Fraser, N.J, Hopkins, D.H, Jackson, C.J. | | 登録日 | 2014-09-19 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Evolutionary Expansion of the Amidohydrolase Superfamily in Bacteria in Response to the Synthetic Compounds Molinate and Diuron.
Appl.Environ.Microbiol., 81, 2015
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