4P2C
 
 | | Complex of Shiga toxin 2e with a neutralizing single-domain antibody | | 分子名称: | Nanobody 1, Anti-F4+ETEC bacteria VHH variable region, Shiga toxin 2e, ... | | 著者 | Lo, A.W.H, Moonens, K, De Kerpel, M, Brys, L, Pardon, E, Remaut, H, De Greve, H. | | 登録日 | 2014-03-03 | | 公開日 | 2014-07-30 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.818 Å) | | 主引用文献 | The Molecular Mechanism of Shiga Toxin Stx2e Neutralization by a Single-domain Antibody Targeting the Cell Receptor-binding Domain.
J.Biol.Chem., 289, 2014
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5EU6
 | | HLA Class I antigen | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Rizkallah, P.J, Bianchi, V, Cole, D.K, Sewell, A.K. | | 登録日 | 2015-11-18 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | A Molecular Switch Abrogates Glycoprotein 100 (gp100) T-cell Receptor (TCR) Targeting of a Human Melanoma Antigen.
J.Biol.Chem., 291, 2016
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4N64
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1WM0
 | | PPARgamma in complex with a 2-BABA compound | | 分子名称: | 14-mer from Nuclear receptor coactivator 2, 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID, Peroxisome proliferator activated receptor gamma | | 著者 | Ostberg, T, Svensson, S, Selen, G, Uppenberg, J, Thor, M, Sundbom, M, Sydow-Backman, M, Gustavsson, A.L, Jendeberg, L. | | 登録日 | 2004-07-01 | | 公開日 | 2004-09-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | A new class of peroxisome proliferator-activated receptor agonists with a novel binding epitope shows antidiabetic effects
J.Biol.Chem., 279, 2004
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5ZX5
 | | 3.3 angstrom structure of mouse TRPM7 with EDTA | | 分子名称: | CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 7 | | 著者 | Zhang, J, Li, Z, Duan, J, Li, J, Hulse, R.E, Santa-Cruz, A, Abiria, S.A, Krapivinsky, G, Clapham, D.E. | | 登録日 | 2018-05-18 | | 公開日 | 2018-10-17 | | 最終更新日 | 2025-06-18 | | 実験手法 | ELECTRON MICROSCOPY (3.28 Å) | | 主引用文献 | Structure of the mammalian TRPM7, a magnesium channel required during embryonic development.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5OTJ
 | | Monomeric polcalcin (Phl p 7) in complex with two identical allergen-specific antibodies | | 分子名称: | 1,2-ETHANEDIOL, 102.1F10 Fab heavy chain, 102.1F10 Fab light chain, ... | | 著者 | Mitropoulou, A.N, Davies, A.M, Beavil, A.J, McDonnell, J.M, Sutton, B.J. | | 登録日 | 2017-08-22 | | 公開日 | 2018-09-05 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structure of a patient-derived antibody in complex with allergen reveals simultaneous conventional and superantigen-like recognition.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6COJ
 | | Crystal structure of Rhodococcus jostii RHA1 IpdAB E105A COCHEA-COA complex | | 分子名称: | Probable CoA-transferase alpha subunit, Probable CoA-transferase beta subunit, S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (5R,10R)-7-hydroxy-10-methyl-2-oxo-1-oxaspiro[4.5]dec-6-ene-6-carbothioate (non-preferred name), ... | | 著者 | Crowe, A.M, Workman, S.D, Watanabe, N, Worrall, L.J, Strynadka, N.C.J, Eltis, L.D. | | 登録日 | 2018-03-12 | | 公開日 | 2018-03-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | IpdAB, a virulence factor inMycobacterium tuberculosis, is a cholesterol ring-cleaving hydrolase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4NM8
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3EOV
 | | Crystal structure of cyclophilin from Leishmania donovani ligated with cyclosporin A | | 分子名称: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE | | 著者 | Venugopal, V, Dasgupta, D, Datta, A.K, Banerjee, R. | | 登録日 | 2008-09-29 | | 公開日 | 2008-11-11 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure of Cyclophilin from Leishmania Donovani Bound to Cyclosporin at 2.6 A Resolution: Correlation between Structure and Thermodynamic Data.
Acta Crystallogr.,Sect.D, 65, 2009
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1N5A
 | | Crystal structure of the Murine class I Major Histocompatibility Complex of H-2DB, B2-Microglobulin, and A 9-Residue immunodominant peptide epitope gp33 derived from LCMV | | 分子名称: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | | 著者 | Achour, A, Michaelsson, J, Harris, R.A, Odeberg, J, Grufman, P, Sandberg, J.K, Levitsky, V, Karre, K, Sandalova, T, Schneider, G. | | 登録日 | 2002-11-05 | | 公開日 | 2003-01-07 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | A Structural Basis for LCMV Immune Evasion. Subversion of H-2D(b) and H-2K(b) Presentation of
gp33 Revealed by Comparative Crystal Structure Analyses.
Immunity, 17, 2002
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6ADQ
 | | Respiratory Complex CIII2CIV2SOD2 from Mycobacterium smegmatis | | 分子名称: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ... | | 著者 | Gong, H.R, Xu, A, Gao, R.G, Ji, W.X, Wang, S.H, Wang, Q, Li, J, Rao, Z.H. | | 登録日 | 2018-08-01 | | 公開日 | 2018-11-14 | | 最終更新日 | 2025-04-09 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | An electron transfer path connects subunits of a mycobacterial respiratory supercomplex.
Science, 362, 2018
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4NZU
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3PMU
 | | Endothiapepsin in complex with a fragment | | 分子名称: | (2S)-1-[(2-fluorobenzyl)oxy]-3-(pyrrolidin-1-yl)propan-2-ol, Endothiapepsin | | 著者 | Koester, H, Heine, A, Klebe, G. | | 登録日 | 2010-11-18 | | 公開日 | 2011-11-02 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.
J.Med.Chem., 54, 2011
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3HNX
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5W97
 | | Crystal Structure of CO-bound Cytochrome c Oxidase determined by Serial Femtosecond X-Ray Crystallography at Room Temperature | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | 著者 | Rousseau, D.L, Yeh, S.-R, Ishigami, I, Zatsepin, N.A, Grant, T.D, Fromme, P, Fromme, R. | | 登録日 | 2017-06-22 | | 公開日 | 2017-08-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of CO-bound cytochrome c oxidase determined by serial femtosecond X-ray crystallography at room temperature.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4K18
 | | Structure of PIM-1 kinase bound to 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide | | 分子名称: | 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | | 著者 | Murray, J.M, Wallweber, H, Steffek, M. | | 登録日 | 2013-04-04 | | 公開日 | 2013-05-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.051 Å) | | 主引用文献 | Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
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5UY3
 | | Crystal structure of human Fab PGT144, a broadly reactive and potent HIV-1 neutralizing antibody | | 分子名称: | Antibody PGT144 Fab heavy chain, Antibody PGT144 Fab light chain | | 著者 | Julien, J.-P, Lee, J.H, Wilson, I.A. | | 登録日 | 2017-02-23 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | A Broadly Neutralizing Antibody Targets the Dynamic HIV Envelope Trimer Apex via a Long, Rigidified, and Anionic beta-Hairpin Structure.
Immunity, 46, 2017
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5MU4
 | | Tail Tubular Protein A of Klebsiella pneumoniae bacteriophage KP32 | | 分子名称: | Tail tubular protein A | | 著者 | Pyra, A, Brzozowska, E, Pawlik, K, Dauter, M, Dauter, Z, Gamian, A. | | 登録日 | 2017-01-12 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Tail tubular protein A: a dual-function tail protein of Klebsiella pneumoniae bacteriophage KP32.
Sci Rep, 7, 2017
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5WHF
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6R6K
 | | Structure of a FpvC mutant from pseudomonas aeruginosa | | 分子名称: | 1,2-ETHANEDIOL, ABC transporter substrate-binding protein, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Morera, S, Vigouroux, A. | | 登録日 | 2019-03-27 | | 公開日 | 2019-07-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A unique ferrous iron binding mode is associated with large conformational changes for the transport protein FpvC of Pseudomonas aeruginosa.
Febs J., 287, 2020
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5WIS
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with methymycin and bound to mRNA and A-, P- and E-site tRNAs at 2.7A resolution | | 分子名称: | (3R,4S,5S,7R,9E,11S,12R)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside, 16S Ribosomal RNA, 23S ribosomal RNA, ... | | 著者 | Almutairi, M.M, Svetlov, M.S, Hansen, D.A, Khabibullina, N.F, Klepacki, D, Kang, H.Y, Sherman, D.H, Vazquez-Laslop, N, Polikanov, Y.S, Mankin, A.S. | | 登録日 | 2017-07-20 | | 公開日 | 2018-02-14 | | 最終更新日 | 2025-03-19 | | 実験手法 | X-RAY DIFFRACTION (2.703 Å) | | 主引用文献 | Co-produced natural ketolides methymycin and pikromycin inhibit bacterial growth by preventing synthesis of a limited number of proteins.
Nucleic Acids Res., 45, 2017
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1AUL
 | | SOLUTION STRUCTURE OF A HIGHLY STABLE DNA DUPLEX CONJUGATED TO A MINOR GROOVE BINDER, NMR, MINIMIZED AVERAGE STRUCTURE | | 分子名称: | DNA (5'-D(*CP*AP*GP*AP*TP*AP*AP*TP*CP*A)-3'), DNA (5'-D(P*THXP*GP*AP*TP*TP*AP*TP*CP*TP*G)-3') | | 著者 | Kumar, S, Reed, M.W, Gamper Junior, H.B, Gorn, V.V, Lukhtanov, E.A, Foti, M, West, J, Meyer Junior, R.B, Schweitzer, B.I. | | 登録日 | 1997-08-29 | | 公開日 | 1997-12-24 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of a highly stable DNA duplex conjugated to a minor groove binder.
Nucleic Acids Res., 26, 1998
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5UV5
 | | Crystal Structure of a 2-Hydroxyisoquinoline-1,3-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase | | 分子名称: | 7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ... | | 著者 | Kirby, K.A, Sarafianos, S.G. | | 登録日 | 2017-02-19 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | A 2-Hydroxyisoquinoline-1,3-Dione Active-Site RNase H Inhibitor Binds in Multiple Modes to HIV-1 Reverse Transcriptase.
Antimicrob. Agents Chemother., 61, 2017
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3VHK
 | | Crystal structure of the VEGFR2 kinase domain in complex with a back pocket binder | | 分子名称: | 1,2-ETHANEDIOL, Vascular endothelial growth factor receptor 2, {3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol | | 著者 | Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H. | | 登録日 | 2011-08-25 | | 公開日 | 2012-09-05 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases.
ACS MED.CHEM.LETT., 3, 2012
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5O3D
 | | Human Brd2(BD2) mutant in complex with 9-ET | | 分子名称: | (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ... | | 著者 | Chan, K.-H, Runcie, A.C, Ciulli, A. | | 登録日 | 2017-05-23 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
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