9DQ1
 
 | | Crystal structure of HrmJ from Streptomyces sp. CFMR 7 (HrmJ-ssc) complexed with manganese (II), 2-oxoglutarate and 6-nitronorleucine | | 分子名称: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 6-nitro-L-norleucine, ... | | 著者 | Zheng, Y.-C, Swartz, P, Chang, W.-C. | | 登録日 | 2024-09-23 | | 公開日 | 2025-02-12 | | 最終更新日 | 2025-03-05 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Comparison of a Nonheme Iron Cyclopropanase with a Homologous Hydroxylase Reveals Mechanistic Features Associated with Distinct Reaction Outcomes.
J.Am.Chem.Soc., 147, 2025
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8OUV
 | | Crystal structure of D1228V c-MET bound by compound 15 | | 分子名称: | 5-(1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, CHLORIDE ION, Hepatocyte growth factor receptor | | 著者 | Collie, G.W. | | 登録日 | 2023-04-24 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.783 Å) | | 主引用文献 | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
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7RJK
 | | Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with hnRNPK | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 3, GLYCEROL, ... | | 著者 | Fedorov, E, Islam, K, Ghosh, A. | | 登録日 | 2021-07-21 | | 公開日 | 2022-08-03 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
Biorxiv, 2021
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2WZK
 | | Structure of the Cul5 N-terminal domain at 2.05A resolution. | | 分子名称: | 1,2-ETHANEDIOL, CULLIN-5 | | 著者 | Muniz, J.R.C, Ayinampudi, V, Zhang, Y, Babon, J.J, Chaikuad, A, Krojer, T, Pike, A.C.W, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bullock, A.N. | | 登録日 | 2009-11-30 | | 公開日 | 2009-12-15 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Molecular Architecture of the Ankyrin Socs Box Family of Cul5-Dependent E3 Ubiquitin Ligases
J.Mol.Biol., 425, 2013
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5U2P
 | | The crystal structure of Tp0737 from Treponema pallidum | | 分子名称: | 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... | | 著者 | Brautigam, C.A, Deka, R.K, Tomchick, D.R, Norgard, M.V. | | 登録日 | 2016-11-30 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Functional clues from the crystal structure of an orphan periplasmic ligand-binding protein from Treponema pallidum.
Protein Sci., 26, 2017
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5J75
 | | Fluorogen Activating Protein AM2.2 in complex with ML342 | | 分子名称: | N,4-dimethyl-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide, PHOSPHATE ION, scFv AM2.2 | | 著者 | Stanfield, R.L, Wilson, I.A, Wu, Y. | | 登録日 | 2016-04-05 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of Small-Molecule Nonfluorescent Inhibitors of Fluorogen-Fluorogen Activating Protein Binding Pair.
J Biomol Screen, 21, 2016
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6F49
 | | Periplasmic domain of LolC lacking the Hook. | | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, GLYCEROL, Lipoprotein-releasing system transmembrane protein LolC,Lipoprotein-releasing system transmembrane protein LolC | | 著者 | Kaplan, E. | | 登録日 | 2017-11-29 | | 公開日 | 2018-07-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Insights into bacterial lipoprotein trafficking from a structure of LolA bound to the LolC periplasmic domain.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5DC7
 | | Crystal structure of D176A-Y306F HDAC8 in complex with a tetrapeptide substrate | | 分子名称: | Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ... | | 著者 | Decroos, C, Lee, M.S, Christianson, D.W. | | 登録日 | 2015-08-23 | | 公開日 | 2016-02-03 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
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5JDN
 | | Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 10 mM Na+ and 10mM Sr2+ | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PENTADECANE, PENTAETHYLENE GLYCOL, ... | | 著者 | Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D. | | 登録日 | 2016-04-17 | | 公開日 | 2016-05-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
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7MZ6
 | | Cryo-EM structure of minimal TRPV1 with 1 perturbed PI | | 分子名称: | (10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate, (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, ... | | 著者 | Zhang, K, Julius, D, Cheng, Y. | | 登録日 | 2021-05-24 | | 公開日 | 2021-09-22 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (2.91 Å) | | 主引用文献 | Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
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6Z2K
 | | The structure of the tetrameric HDAC1/MIDEAS/DNTTIP1 MiDAC deacetylase complex | | 分子名称: | Deoxynucleotidyltransferase terminal-interacting protein 1, Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, ... | | 著者 | Fairall, L, Saleh, A, Ragan, T.J, Millard, C.J, Savva, C.G, Schwabe, J.W.R. | | 登録日 | 2020-05-16 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | The MiDAC histone deacetylase complex is essential for embryonic development and has a unique multivalent structure.
Nat Commun, 11, 2020
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6QVL
 | | Human SHMT2 in complex with pemetrexed | | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Scaletti, E, Jemth, A.S, Helleday, T, Stenmark, P. | | 登録日 | 2019-03-03 | | 公開日 | 2019-09-04 | | 最終更新日 | 2025-04-09 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Structural basis of inhibition of the human serine hydroxymethyltransferase SHMT2 by antifolate drugs.
Febs Lett., 593, 2019
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7RPP
 | | Crystal structure of human CEACAM1 with GFCC' and ABED face | | 分子名称: | 1,2-ETHANEDIOL, Carcinoembryonic antigen-related cell adhesion molecule 1 | | 著者 | Gandhi, A.K, Kim, W.M, Sun, Z.-Y, Huang, Y.H, Petsko, G.A, Blumberg, R.S. | | 登録日 | 2021-08-04 | | 公開日 | 2022-08-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural analysis of human CEACAM1 oligomerization.
Commun Biol, 5, 2022
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7MZ9
 | | Cryo-EM structure of minimal TRPV1 with 1 partially bound RTX | | 分子名称: | (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... | | 著者 | Zhang, K, Julius, D, Cheng, Y. | | 登録日 | 2021-05-24 | | 公開日 | 2021-09-22 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.18 Å) | | 主引用文献 | Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
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7MZB
 | | Cryo-EM structure of minimal TRPV1 with 3 bound RTX and 1 perturbed PI | | 分子名称: | (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... | | 著者 | Zhang, K, Julius, D, Cheng, Y. | | 登録日 | 2021-05-24 | | 公開日 | 2021-09-22 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (3.72 Å) | | 主引用文献 | Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
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5JDM
 | | Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 0.1mM Sr2+ | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15-PENTAOXAHEPTADECANE, PENTADECANE, ... | | 著者 | Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D. | | 登録日 | 2016-04-17 | | 公開日 | 2016-05-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.558 Å) | | 主引用文献 | Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
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6UKV
 | | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 9 | | 分子名称: | 4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | | 著者 | Lesburg, C.A. | | 登録日 | 2019-10-06 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
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5FV8
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5NGG
 | | Crystal structure of the subclass B3 metallo-beta-lactamase BJP-1 in complex with acetate anion | | 分子名称: | ACETATE ION, Blr6230 protein, ZINC ION | | 著者 | Pozzi, C, Di Pisa, F, Benvenuti, M, Mangani, S. | | 登録日 | 2017-03-17 | | 公開日 | 2017-09-27 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Boric acid and acetate anion binding to subclass B3 metallo-Beta-lactamase BJP-1 provides clues for mechanism of action and inhibitor design
Inorg.Chim.Acta., 2017
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8ILR
 | | Cryo-EM structure of PI3Kalpha in complex with compound 16 | | 分子名称: | N-[(2S)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | | 登録日 | 2023-03-04 | | 公開日 | 2023-08-30 | | 実験手法 | ELECTRON MICROSCOPY (3.05 Å) | | 主引用文献 | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6F3E
 | | IRAK4 IN COMPLEX WITH inhibitor | | 分子名称: | 2-[(3~{R})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION | | 著者 | Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D. | | 登録日 | 2017-11-28 | | 公開日 | 2018-05-23 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4.
Bioorg. Med. Chem., 26, 2018
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5YB6
 | | L-Amino acid oxidase/monooxygenase from Pseudomonas sp. AIU 813 - L-lysine complex | | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, FLAVIN-ADENINE DINUCLEOTIDE, L-amino acid oxidase/monooxygenase, ... | | 著者 | Im, D, Matsui, D, Arakawa, T, Isobe, K, Asano, Y, Fushinobu, S. | | 登録日 | 2017-09-03 | | 公開日 | 2018-02-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Ligand complex structures of l-amino acid oxidase/monooxygenase from
FEBS Open Bio, 8, 2018
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9G10
 | | auxin transporter PIN8 as asymmetric dimer (outward/inward) with 4-CPA bound in the outward partly released state | | 分子名称: | 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(4-chloranylphenoxy)ethanoic acid, Auxin efflux carrier component 8, ... | | 著者 | Ung, K.L, Stokes, D.L, Pedersen, B.P. | | 登録日 | 2024-07-09 | | 公開日 | 2025-04-09 | | 最終更新日 | 2025-04-16 | | 実験手法 | ELECTRON MICROSCOPY (3.43 Å) | | 主引用文献 | Transport of herbicides by PIN-FORMED auxin transporters.
Biorxiv, 2024
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9G0Z
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5JF8
 | | Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor RAS358 (21) | | 分子名称: | ACETATE ION, IMIDAZOLE, Peptide deformylase, ... | | 著者 | Fieulaine, S, Giglione, C, Meinnel, T. | | 登録日 | 2016-04-19 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
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