8EQX
 
 | | Co-crystal structure of Chaetomium glucosidase with compound 21 | | 分子名称: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[6-({[(5M)-3-methyl-5-(1H-pyrrol-2-yl)phenyl]amino}methyl)pyridin-2-yl]methyl}piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ... | | 著者 | Karade, S.S, Mariuzza, R.A. | | 登録日 | 2022-10-10 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
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6GES
 | | Crystal structure of ERK1 covalently bound to SM1-71 | | 分子名称: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 3, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide, ... | | 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 | 2018-04-27 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.07 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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8ETO
 | | Co-crystal structure of Chaetomium glucosidase with compound 25 | | 分子名称: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-{[(5Z)-6-{[2-nitro-4-(2H-1,2,3-triazol-2-yl)phenyl]amino}hex-5-en-1-yl]amino}cyclohexane-1,2,3,4-tetrol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Karade, S.S, Mariuzza, R.A. | | 登録日 | 2022-10-17 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
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5KA8
 | | Protein Tyrosine Phosphatase 1B L192A mutant, open state | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Choy, M.S, Peti, W, Page, R. | | 登録日 | 2016-06-01 | | 公開日 | 2017-03-01 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.971 Å) | | 主引用文献 | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
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6GA5
 | | Bacteriorhodopsin, 3 ps state, REAL-SPACE REFINEMED AGAINST 10% EXTRAPOLATED MAP | | 分子名称: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | 著者 | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | | 登録日 | 2018-04-11 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
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5JPC
 | | Joint X-ray/neutron structure of MTAN complex with Formycin A | | 分子名称: | (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, Aminodeoxyfutalosine nucleosidase | | 著者 | Banco, M.T, Kovalevsky, A.Y, Ronning, D.R. | | 登録日 | 2016-05-03 | | 公開日 | 2016-11-16 | | 最終更新日 | 2024-03-06 | | 実験手法 | NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION | | 主引用文献 | Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5UXY
 | | The crystal structure of a DegV family protein from Eubacterium eligens loaded with heptadecanoic acid to 1.80 Angstrom resolution (ALTERNATIVE REFINEMENT OF PDB 3FDJ with HEPTADECANOIC acid) | | 分子名称: | ACETIC ACID, DegV family protein, SODIUM ION, ... | | 著者 | Cuypers, M.G, Ericson, M, subramanian, C, White, S.W, Rock, C.O. | | 登録日 | 2017-02-23 | | 公開日 | 2018-11-21 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstroem resolution
J.Biol.Chem., 2018
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5GM3
 | | Crystal structure of FI-CMCase from Aspergillus aculeatus F-50 | | 分子名称: | CACODYLATE ION, Endoglucanase-1, ZINC ION | | 著者 | Huang, J.W, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | | 登録日 | 2016-07-12 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Crystal structure and genetic modifications of FI-CMCase from Aspergillus aculeatus F-50
Biochem. Biophys. Res. Commun., 478, 2016
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1UT1
 | | DraE adhesin from Escherichia Coli | | 分子名称: | 1,2-ETHANEDIOL, DR HEMAGGLUTININ STRUCTURAL SUBUNIT, SULFATE ION | | 著者 | Anderson, K.L, Billington, J, Pettigrew, D, Cota, E, Roversi, P, Simpson, P, Chen, H.A, Urvil, P, Dumerle, L, Barlow, P, Medof, E, Smith, R.A.G, Nowicki, B, Le Bouguenec, C, Lea, S.M, Matthews, S. | | 登録日 | 2003-12-02 | | 公開日 | 2004-08-31 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | High Resolution Studies of the Afa/Dr Adhesin Drae and its Interaction with Chloramphenicol
J.Biol.Chem., 279, 2004
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6V90
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5JT5
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5JTT
 | | Crystal structure of GPb in complex with 8a | | 分子名称: | (1S)-1,5-anhydro-1-(5-phenyl-1H-imidazol-2-yl)-D-glucitol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | | 著者 | Kantsadi, A.L, Stravodimos, G.A, Chatzileontiadou, D.S.M, Leonidas, D.D. | | 登録日 | 2016-05-09 | | 公開日 | 2016-08-24 | | 最終更新日 | 2025-04-09 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Synthetic, enzyme kinetic, and protein crystallographic studies of C-beta-d-glucopyranosyl pyrroles and imidazoles reveal and explain low nanomolar inhibition of human liver glycogen phosphorylase.
Eur.J.Med.Chem., 123, 2016
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5JV0
 | | Crystal structure of human FPPS in complex with an allosteric inhibitor CL-08-038 | | 分子名称: | Farnesyl pyrophosphate synthase, SULFATE ION, [(1R)-2-(3-fluorophenyl)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethyl]phosphonic acid | | 著者 | Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M. | | 登録日 | 2016-05-10 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
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3H7I
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8BWI
 | | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1), crystal form 2 | | 分子名称: | Twisted gastrulation protein homolog 1 | | 著者 | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | | 登録日 | 2022-12-06 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
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5NW4
 | | Human cytoplasmic dynein-1 bound to dynactin and an N-terminal construct of BICD2 | | 分子名称: | Arp1, Arp11, BICD2N, ... | | 著者 | Zhang, K, Foster, H.E, Carter, A.P. | | 登録日 | 2017-05-05 | | 公開日 | 2017-08-02 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (8.7 Å) | | 主引用文献 | Cryo-EM Reveals How Human Cytoplasmic Dynein Is Auto-inhibited and Activated.
Cell, 169, 2017
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8BWN
 | | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation Factor 5 (GDF5) and calcium, long-wavelength X-ray dataset (4010 eV) | | 分子名称: | CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1 | | 著者 | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | | 登録日 | 2022-12-07 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
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8BTM
 | | Structural and functional studies of geldanamycin amide synthase ShGdmF | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, GdmF | | 著者 | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | | 登録日 | 2022-11-29 | | 公開日 | 2024-06-12 | | 最終更新日 | 2025-04-02 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structure and function of the geldanamycin amide synthase from Streptomyces hygroscopicus.
Nat Commun, 16, 2025
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8BWA
 | | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with platinum | | 分子名称: | PLATINUM (II) ION, Twisted gastrulation protein homolog 1 | | 著者 | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | | 登録日 | 2022-12-06 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3.61 Å) | | 主引用文献 | Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
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5G22
 | | Plasmodium vivax N-myristoyltransferase in complex with a quinoline inhibitor (compound 26) | | 分子名称: | 2-oxopentadecyl-CoA, CHLORIDE ION, ETHYL 4-[(2-CYANOETHYL)SULFANYL]-6-{[6-(PIPERAZIN-1-YL), ... | | 著者 | Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W. | | 登録日 | 2016-04-06 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
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9BS5
 | | Bacteroides ovatus GH97C Sus | | 分子名称: | 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-glucosidase, ... | | 著者 | Brown, H.A, Koropatkin, N.M. | | 登録日 | 2024-05-13 | | 公開日 | 2024-10-30 | | 最終更新日 | 2025-05-14 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Acarbose impairs gut Bacteroides growth by targeting intracellular glucosidases.
Mbio, 15, 2024
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9MER
 | | Structure of H1H5:FluA20 Chimeric Influenza HA Complex | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Seraj, N. | | 登録日 | 2024-12-08 | | 公開日 | 2025-03-19 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-based Design of Chimeric Influenza Hemagglutinins to Elicit Cross-group Immunity.
Biorxiv, 2025
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5JX5
 | | GH6 Orpinomyces sp. Y102 enzyme | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ACETATE ION, ... | | 著者 | Tsai, L.C, Huang, H.C. | | 登録日 | 2016-05-12 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structures of GH6 Orpinomyces sp. Y102 CelC7 enzyme with exo- and endo- activity in a complex with cellobiose
Acta Crystallogr.,Sect.D, 2019
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1AQZ
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5WBV
 | | Crystal Structure of the SET Domain of Human SUV420H1 In Complex With Inhibitor | | 分子名称: | 2-chloro-5-(4-methyl-6-oxo-3-phenylpyrano[2,3-c]pyrazol-1(6H)-yl)benzoic acid, Histone-lysine N-methyltransferase KMT5B, S-ADENOSYLMETHIONINE, ... | | 著者 | Halabelian, L, Tempel, W, Brown, P.J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | 登録日 | 2017-06-29 | | 公開日 | 2017-07-19 | | 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 the SET Domain of Human SUV420H1 In Complex With Inhibitor
To be published
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