5GM5
 
 | | Crystal structure of FI-CMCase from Aspergillus aculeatus F-50 in complex with cellobiose | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endoglucanase-1, SULFATE 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 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.73 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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5GPI
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1A8I
 | | SPIROHYDANTOIN INHIBITOR OF GLYCOGEN PHOSPHORYLASE | | 分子名称: | BETA-D-GLUCOPYRANOSE SPIROHYDANTOIN, GLYCOGEN PHOSPHORYLASE B | | 著者 | Gregoriou, M, Noble, M.E.M, Watson, K.A, Garman, E.F, Krulle, T.M, De La Fuente, C, Fleet, G.W.J, Oikonomakos, N.G, Johnson, L.N. | | 登録日 | 1998-03-25 | | 公開日 | 1998-07-01 | | 最終更新日 | 2023-08-02 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | The structure of a glycogen phosphorylase glucopyranose spirohydantoin complex at 1.8 A resolution and 100 K: the role of the water structure and its contribution to binding.
Protein Sci., 7, 1998
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2HZ8
 | | QM/MM structure refined from NMR-structure of a single chain diiron protein | | 分子名称: | De novo designed diiron protein, ZINC ION | | 著者 | Calhoun, J.R, Liu, W, Spiegel, K, Dal Peraro, M, Klein, M.L, Wand, A.J, DeGrado, W.F. | | 登録日 | 2006-08-08 | | 公開日 | 2007-07-17 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement.
Structure, 16, 2008
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6NTS
 | | Protein Phosphatase 2A (Aalpha-B56alpha-Calpha) holoenzyme in complex with a Small Molecule Activator of PP2A (SMAP) | | 分子名称: | MANGANESE (II) ION, N-[(1R,2R,3S)-2-hydroxy-3-(10H-phenoxazin-10-yl)cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit alpha isoform, ... | | 著者 | Huang, W, Taylor, D. | | 登録日 | 2019-01-30 | | 公開日 | 2020-05-06 | | 最終更新日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (3.63 Å) | | 主引用文献 | Selective PP2A Enhancement through Biased Heterotrimer Stabilization.
Cell, 181, 2020
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8EL3
 | | Light harvesting phycobiliprotein HaPE555 from the cryptophyte Hemiselmis andersenii CCMP644 in a loose interface filament | | 分子名称: | DiCys-(15,16)-Dihydrobiliverdin, PHYCOERYTHROBILIN, Phycoerythrin alpha-1 subunit, ... | | 著者 | Rathbone, H.W, Michie, K.A, Laos, A.L, Curmi, P.M.G. | | 登録日 | 2022-09-23 | | 公開日 | 2023-10-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Molecular dissection of the soluble photosynthetic antenna from the cryptophyte alga Hemiselmis andersenii.
Commun Biol, 6, 2023
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8WSW
 | | The Crystal Structure of LIMK2a from Biortus | | 分子名称: | 1,2-ETHANEDIOL, LIM domain kinase 2, ~{N}-[5-[2-[2,6-bis(chloranyl)phenyl]-5-[bis(fluoranyl)methyl]pyrazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-propanamide | | 著者 | Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W. | | 登録日 | 2023-10-17 | | 公開日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The Crystal Structure of LIMK2a from Biortus.
To Be Published
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6NYG
 | | Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 2a (OA-2a) | | 分子名称: | Vacuolating cytotoxin autotransporter | | 著者 | Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W. | | 登録日 | 2019-02-11 | | 公開日 | 2019-03-27 | | 最終更新日 | 2019-12-18 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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8F2O
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8F2N
 | | Phi-29 partially-expanded fiberless prohead | | 分子名称: | Major capsid protein | | 著者 | Woodson, M.E, Morais, M.C, Scott, S.D, Choi, K.H, Jardine, P.J, Zhang, W. | | 登録日 | 2022-11-08 | | 公開日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Phi-29 partially-expanded fiberless prohead
To Be Published
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8A24
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6NJJ
 | | Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770 | | 分子名称: | (4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Fox III, D, Fairman, J.W, Gurney, M.E. | | 登録日 | 2019-01-03 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.
J.Med.Chem., 62, 2019
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6FWH
 | | Acanthamoeba IGPD in complex with R-C348 to 1.7A resolution | | 分子名称: | Imidazoleglycerol-phosphate dehydratase, MAGNESIUM ION, MANGANESE (II) ION, ... | | 著者 | Roberts, C.W, Bisson, C, Baker, P.J. | | 登録日 | 2018-03-06 | | 公開日 | 2018-07-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Structural and functional studies of histidine biosynthesis in Acanthamoeba spp. demonstrates a novel molecular arrangement and target for antimicrobials.
PLoS ONE, 13, 2018
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8A25
 | | Lysophospholipase PlaA from Legionella pneumophila str. Corby - complex with PEG fragment | | 分子名称: | (R,R)-2,3-BUTANEDIOL, IODIDE ION, Lysophospholipase A, ... | | 著者 | Diwo, M.G, Blankenfeldt, W. | | 登録日 | 2022-06-02 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Structure-function relationships underpin disulfide loop cleavage-dependent activation of Legionella pneumophila lysophospholipase A PlaA.
Mol.Microbiol., 121, 2024
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2XC4
 | | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | | 分子名称: | (3R,4R)-N-(4-CHLOROPHENYL)-N'-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-1-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-3,4-DICARBOXAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | 著者 | Banner, D.W, Benz, J, Schlatter, D, Thomi, S, Haap, W. | | 登録日 | 2010-04-16 | | 公開日 | 2010-08-04 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20, 2010
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2XC0
 | | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | | 分子名称: | (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4--DICARBOXYLIC ACID 3-[(3-FLUORO-4-METHOXY-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | 著者 | Banner, D.W, Benz, J, Schlatter, D, Anselm, L, Haap, W. | | 登録日 | 2010-04-15 | | 公開日 | 2010-08-04 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20, 2010
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2FDP
 | | Crystal structure of beta-secretase complexed with an amino-ethylene inhibitor | | 分子名称: | Beta-secretase 1, N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE | | 著者 | Yang, W, Lu, W, Lu, Y, Zhong, M, Sun, J, Thomas, A.E, Wilkinson, J.M, Fucini, R.V, Lam, M, Randal, M, Shi, X.P, Jacobs, J.W, McDowell, R.S, Gordon, E.M, Ballinger, M.D. | | 登録日 | 2005-12-14 | | 公開日 | 2006-01-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Aminoethylenes: a tetrahedral intermediate isostere yielding potent inhibitors of the aspartyl protease BACE-1.
J.Med.Chem., 49, 2006
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2BK2
 | | The prepore structure of pneumolysin, obtained by fitting the alpha carbon trace of perfringolysin O into a cryo-EM map | | 分子名称: | PERFRINGOLYSIN O | | 著者 | Tilley, S.J, Orlova, E.V, Gilbert, R.J.C, Andrew, P.W, Saibil, H.R. | | 登録日 | 2005-02-10 | | 公開日 | 2005-05-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (28 Å) | | 主引用文献 | Structural Basis of Pore Formation by the Bacterial Toxin Pneumolysin
Cell(Cambridge,Mass.), 121, 2005
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6NYF
 | | Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 1 (OA-1) | | 分子名称: | Vacuolating cytotoxin autotransporter | | 著者 | Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W. | | 登録日 | 2019-02-11 | | 公開日 | 2019-03-27 | | 最終更新日 | 2019-12-18 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6O0V
 | | Crystal structure of the TIR domain G601P mutant from human SARM1, crystal form 2 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Sterile alpha and TIR motif-containing protein 1 | | 著者 | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | | 登録日 | 2019-02-17 | | 公開日 | 2019-09-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
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3DHC
 | | 1.3 Angstrom Structure of N-Acyl Homoserine Lactone Hydrolase with the Product N-Hexanoyl-L-Homocysteine Bound to The catalytic Metal Center | | 分子名称: | GLYCEROL, N-Acyl Homoserine Lactone Hydrolase, N-hexanoyl-L-homocysteine, ... | | 著者 | Liu, D, Momb, J, Thomas, P.W, Moulin, A, Petsko, G.A, Fast, W, Ringe, D. | | 登録日 | 2008-06-17 | | 公開日 | 2008-07-29 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Mechanism of the quorum-quenching lactonase (AiiA) from Bacillus thuringiensis. 1. Product-bound structures.
Biochemistry, 47, 2008
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8XZF
 | | Cryo-EM structure of the WN561-bound human APLNR-Gi complex | | 分子名称: | Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Wang, W, Ji, S, Zhang, Y. | | 登録日 | 2024-01-21 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
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8XZJ
 | | Cryo-EM structure of the WN353-bound human APLNR-Gi complex | | 分子名称: | Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Wang, W, Ji, S, Zhang, Y. | | 登録日 | 2024-01-21 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
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8XZH
 | | Cryo-EM structure of the MM07-bound human APLNR-Gi complex | | 分子名称: | Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Wang, W, Ji, S, Zhang, Y. | | 登録日 | 2024-01-21 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
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8XZI
 | | Cryo-EM structure of the CMF-019-bound human APLNR-Gi complex | | 分子名称: | (3~{S})-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]carbonylamino]hexanoic acid, Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Wang, W, Ji, S, Zhang, Y. | | 登録日 | 2024-01-21 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
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