7SO2
 
 | | Crystal Structure of HIV-1 Reverse Transcriptase Y181C Variant in Complex with (E)-4-((4-((4-(2-cyanovinyl)-2,6-dimethylphenyl)amino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ564) | | 分子名称: | 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | | 著者 | Frey, K.M, Anderson, K.S. | | 登録日 | 2021-10-29 | | 公開日 | 2022-03-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.089 Å) | | 主引用文献 | Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase.
Front Mol Biosci, 9, 2022
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8JM1
 | | Endo-deglycosylated hydroxynitrile lyase isozyme 5 mutant from Prunus communis mutant L331A complexed with 2,2-dimethyl-4H-benzo[d][1,3]dioxine-6-carbaldehyde (Form A) | | 分子名称: | (R)-mandelonitrile lyase, 1,2-ETHANEDIOL, 2,2-dimethyl-4H-1,3-benzodioxine-6-carbaldehyde, ... | | 著者 | Zheng, Y.-C, Li, F.-L, Yu, H.-L, Xu, J.-H. | | 登録日 | 2023-06-04 | | 公開日 | 2024-06-12 | | 最終更新日 | 2025-10-08 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Endo-deglycosylated hydroxynitrile lyase isozyme 5 mutant from Prunus communis mutant L331A complexed with 2,2-dimethyl-4H-benzo[d][1,3]dioxine-6-carbaldehyde (Form A)
To Be Published
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7SJ6
 | | T4 Lysozyme L99A/M102H with 1,2-Azaborine bound | | 分子名称: | 1,2-dihydro-1,2-azaborinine, 2-HYDROXYETHYL DISULFIDE, ACETATE ION, ... | | 著者 | Yao, L, Wirth, J. | | 登録日 | 2021-10-16 | | 公開日 | 2022-10-26 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | T4 Lysozyme L99A/M102H with 1,2-Azaborine bound
to be published
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8K69
 | | Cryo-EM structure of Oryza sativa HKT2;2/1 at 2.3 angstrom | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, CHOLESTEROL HEMISUCCINATE, ... | | 著者 | Wang, X, Shen, X, Qu, Y, Wang, C, Shen, H. | | 登録日 | 2023-07-25 | | 公開日 | 2024-04-03 | | 最終更新日 | 2025-07-23 | | 実験手法 | ELECTRON MICROSCOPY (2.33 Å) | | 主引用文献 | Structural insights into ion selectivity and transport mechanisms of Oryza sativa HKT2;1 and HKT2;2/1 transporters.
Nat.Plants, 10, 2024
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7SO1
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-((4-((4-(2-cyanovinyl)-2,6-dimethylphenyl)amino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ564) | | 分子名称: | 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile, Reverse transcriptase p66, p51 RT | | 著者 | Frey, K.M, Anderson, K.S. | | 登録日 | 2021-10-28 | | 公開日 | 2022-03-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.727 Å) | | 主引用文献 | Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase.
Front Mol Biosci, 9, 2022
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7SO4
 | | Crystal Structure of HIV-1 Y181C mutant Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-7-fluoro-2-naphthonitrile (JLJ635), a Non-nucleoside Inhibitor | | 分子名称: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | | 著者 | Bertoletti, N, Anderson, K.S, Cisneros Trigo, J.A, Jorgensen, W.L, Frey, K.M, Chan, A.H. | | 登録日 | 2021-10-29 | | 公開日 | 2022-03-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase.
Front Mol Biosci, 9, 2022
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8ISO
 | | Crystal structure of extended-spectrum class A beta-lactamase, CESS-1 | | 分子名称: | 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Beta-lactamase | | 著者 | Jeong, B.G, Kim, M.Y, Jeong, C.S, Do, H.W, Lee, J.H, Cha, S.S. | | 登録日 | 2023-03-21 | | 公開日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Characterization of the extended substrate spectrum of the class A beta-lactamase CESS-1 from Stenotrophomonas sp. and structure-based investigation into its substrate preference.
Int J Antimicrob Agents, 63, 2024
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7Z6Z
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7SLS
 | | HIV Reverse Transcriptase with compound Pyr02 | | 分子名称: | 5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile, Reverse transcriptase/ribonuclease H | | 著者 | Klein, D.J, Zebisch, M, Gu, M. | | 登録日 | 2021-10-24 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.078 Å) | | 主引用文献 | Potent targeted activator of cell kill molecules eliminate cells expressing HIV-1.
Sci Transl Med, 15, 2023
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7SLR
 | | HIV Reverse Transcriptase with compound Pyr01 | | 分子名称: | 5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile, Reverse transcriptase/ribonuclease H | | 著者 | Klein, D.J, Zebisch, M, Gu, M. | | 登録日 | 2021-10-24 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.179 Å) | | 主引用文献 | Potent targeted activator of cell kill molecules eliminate cells expressing HIV-1.
Sci Transl Med, 15, 2023
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8K66
 | | Cryo-EM structure of Oryza sativa HKT2;1 at 2.5 angstrom | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, CHOLESTEROL HEMISUCCINATE, ... | | 著者 | Wang, X, Shen, X, Qu, Y, Wang, C, Shen, H. | | 登録日 | 2023-07-25 | | 公開日 | 2024-04-03 | | 最終更新日 | 2025-07-23 | | 実験手法 | ELECTRON MICROSCOPY (2.53 Å) | | 主引用文献 | Structural insights into ion selectivity and transport mechanisms of Oryza sativa HKT2;1 and HKT2;2/1 transporters.
Nat.Plants, 10, 2024
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7T78
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7TD4
 | | Sphingosine-1-phosphate receptor 1-Gi complex bound to Siponimod | | 分子名称: | 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | | 登録日 | 2021-12-30 | | 公開日 | 2022-02-09 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
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4W86
 | | Crystal structure of XEG5A, a GH5 xyloglucan-specific endo-beta-1,4-glucanase from ruminal metagenomic library, in complex with glucose and TRIS | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, Xyloglucan-specific endo-beta-1,4-glucanase, ... | | 著者 | Santos, C.R, Cordeiro, R.L, Wong, D.W.S, Murakami, M.T. | | 登録日 | 2014-08-22 | | 公開日 | 2015-03-11 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family.
Biochemistry, 54, 2015
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4WH2
 | | N-acetylhexosamine 1-kinase in complex with ADP | | 分子名称: | ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | 著者 | Sato, M, Arakawa, T, Nam, Y.W, Nishimoto, M, Kitaoka, M, Fushinobu, S. | | 登録日 | 2014-09-19 | | 公開日 | 2015-02-18 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.847 Å) | | 主引用文献 | Open-close structural change upon ligand binding and two magnesium ions required for the catalysis of N-acetylhexosamine 1-kinase
Biochim.Biophys.Acta, 1854, 2015
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4WH1
 | | N-Acetylhexosamine 1-kinase (ligand free) | | 分子名称: | ACETIC ACID, GLYCEROL, N-acetylhexosamine 1-kinase | | 著者 | Sato, M, Arakawa, T, Nam, Y.W, Nishimoto, M, Kitaoka, M, Fushinobu, S. | | 登録日 | 2014-09-19 | | 公開日 | 2015-02-11 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Open-close structural change upon ligand binding and two magnesium ions required for the catalysis of N-acetylhexosamine 1-kinase
Biochim.Biophys.Acta, 1854, 2015
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4WH3
 | | N-acetylhexosamine 1-kinase in complex with ATP | | 分子名称: | ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | | 著者 | Sato, M, Arakawa, T, Nam, Y.W, Nishimoto, M, Kitaoka, M, Fushinobu, S. | | 登録日 | 2014-09-19 | | 公開日 | 2015-02-18 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Open-close structural change upon ligand binding and two magnesium ions required for the catalysis of N-acetylhexosamine 1-kinase
Biochim.Biophys.Acta, 1854, 2015
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4WWP
 | | Crystal structure of human PI3K-gamma in complex with pyridinylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine | | 分子名称: | GLYCEROL, N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, ... | | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | | 登録日 | 2014-11-11 | | 公開日 | 2014-12-17 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
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4WT6
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4WSY
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4UYD
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-dimethyl-2-oxo-2,3- dihydro-1H-1,3-benzodiazole-5-carboxamide | | 分子名称: | 1,2-ETHANEDIOL, 1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide, BROMODOMAIN-CONTAINING PROTEIN 4, ... | | 著者 | Chung, C, Bamborough, P, Demont, E. | | 登録日 | 2014-08-30 | | 公開日 | 2014-09-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | 1,3-Dimethyl Benzimidazolones are Potent, Selective Inhibitors of the Brpf1 Bromodomain.
Acs Med.Chem.Lett., 5, 2014
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4WKE
 | | Crystal structure of human ADAMTS-4 in complex with inhibitor 5-chloro-N-{[(4R)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide (compound 10) | | 分子名称: | 1,2-ETHANEDIOL, 5-chloro-N-{[(4R)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide, A disintegrin and metalloproteinase with thrombospondin motifs 4, ... | | 著者 | Durbin, J.D. | | 登録日 | 2014-10-02 | | 公開日 | 2014-12-10 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Identification of potent and selective hydantoin inhibitors of aggrecanase-1 and aggrecanase-2 that are efficacious in both chemical and surgical models of osteoarthritis.
J.Med.Chem., 57, 2014
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4WKI
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4WZF
 | | Crystal structural basis for Rv0315, an immunostimulatory antigen and pseudo beta-1, 3-glucanase of Mycobacterium tuberculosis | | 分子名称: | 1,2-ETHANEDIOL, 1,3-beta-glucanase, CALCIUM ION | | 著者 | Dong, W.Y, Fu, Z.F, Peng, G.Q. | | 登録日 | 2014-11-19 | | 公開日 | 2015-12-09 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.699 Å) | | 主引用文献 | Crystal structural basis for Rv0315, an immunostimulatory antigen and inactive beta-1,3-glucanase of Mycobacterium tuberculosis.
Sci Rep, 5, 2015
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4V28
 | | Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with Man-Man-Methylumbelliferone | | 分子名称: | 1,2-ETHANEDIOL, 7-hydroxy-4-methyl-2H-chromen-2-one, ACETATE ION, ... | | 著者 | Hakki, Z, Bellmaine, S, Thompson, A.J, Speciale, G, Davies, G.J, Williams, S.J. | | 登録日 | 2014-10-07 | | 公開日 | 2014-12-24 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structural and Kinetic Dissection of the Endo-Alpha-1,2-Mannanase Activity of Bacterial Gh99 Glycoside Hydrolases from Bacteroides Spp.
Chemistry, 21, 2015
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