5U1W
 
 | | Crystal structure of the ATP-gated P2X7 ion channel bound to allosteric antagonist AZ10606120 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)quinolin-5-yl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetamide, ... | | 著者 | Karasawa, A, Kawate, T. | | 登録日 | 2016-11-29 | | 公開日 | 2017-01-04 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3.501 Å) | | 主引用文献 | Structural basis for subtype-specific inhibition of the P2X7 receptor.
Elife, 5, 2016
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8A68
 | | Small molecule stabilizer (compound 5) for C-RAF(pS259) and 14-3-3 | | 分子名称: | 14-3-3 protein sigma, MAGNESIUM ION, RAF proto-oncogene serine/threonine-protein kinase, ... | | 著者 | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | | 登録日 | 2022-06-16 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
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8RJ4
 | | E. coli adenylate kinase in complex with two ADP molecules and Mg2+ as a result of enzymatic AP4A hydrolysis | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase, CHLORIDE ION, ... | | 著者 | Tischlik, S, Ronge, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | | 登録日 | 2023-12-20 | | 公開日 | 2024-07-10 | | 最終更新日 | 2024-08-28 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Magnesium induced structural reorganization in the active site of adenylate kinase.
Sci Adv, 10, 2024
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6P8U
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6EUJ
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7ZQU
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7POB
 | | An Irreversible, Promiscuous and Highly Thermostable Claisen-Condensation Biocatalyst Drives the Synthesis of Substituted Pyrroles | | 分子名称: | 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION | | 著者 | Basle, A, Ashley, B, Campopiano, D, Marles-Wright, J. | | 登録日 | 2021-09-08 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Versatile Chemo-Biocatalytic Cascade Driven by a Thermophilic and Irreversible C-C Bond-Forming alpha-Oxoamine Synthase.
Acs Sustain Chem Eng, 11, 2023
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6Y2Z
 | | NG domain of human SRP54 | | 分子名称: | MAGNESIUM ION, PHOSPHATE ION, Signal recognition particle 54 kDa protein | | 著者 | Juaire, K.D, Wild, K, Sinning, I. | | 登録日 | 2020-02-17 | | 公開日 | 2020-09-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structural and Functional Impact of SRP54 Mutations Causing Severe Congenital Neutropenia.
Structure, 29, 2021
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5FUX
 | | catalytic domain of Thymidine kinase from Trypanosoma brucei with dTMP | | 分子名称: | MAGNESIUM ION, PHOSPHATE ION, THYMDINE KINASE, ... | | 著者 | Timm, J, Valente, M, Castillo-Acosta, V, Balzarini, T, Nettleship, J.E, Rada, H, Wilson, K.S, Gonzalez-Pacanowska, D. | | 登録日 | 2016-01-31 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Cell Cycle Regulation and Novel Structural Features of Thymidine Kinase, an Essential Enzyme in Trypanosoma Brucei.
Mol.Microbiol., 102, 2016
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7POC
 | | An Irreversible, Promiscuous and Highly Thermostable Claisen-Condensation Biocatalyst Drives the Synthesis of Substituted Pyrroles | | 分子名称: | 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Basle, A, Ashley, B, Campopiano, D, Marles-Wright, J. | | 登録日 | 2021-09-08 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Versatile Chemo-Biocatalytic Cascade Driven by a Thermophilic and Irreversible C-C Bond-Forming alpha-Oxoamine Synthase.
Acs Sustain Chem Eng, 11, 2023
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6B3K
 | | Crystal structure of mutant Spinach RNA aptamer in complex with Fab BL3-6 | | 分子名称: | Heavy chain of Fab BL3-6, Light chain of Fab BL3-6, MAGNESIUM ION, ... | | 著者 | DasGupta, S, Koirala, D, Shelke, S.A, Piccirilli, J.A. | | 登録日 | 2017-09-22 | | 公開日 | 2017-12-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Affinity maturation of a portable Fab-RNA module for chaperone-assisted RNA crystallography.
Nucleic Acids Res., 46, 2018
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5FWI
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6Y7N
 | | The crystal structure of the eight-bladed symmetrical designer protein Tako8 in the presence of tellurotungstic Anderson-Evans (TEW) | | 分子名称: | Tako8 | | 著者 | Vandebroek, L, Noguchi, H, Parac-Vogt, T.N, Van Meervelt, L, Voet, A.R.D. | | 登録日 | 2020-03-02 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Shape and Size Complementarity-Induced Formation of Supramolecular Protein Assemblies with Metal-Oxo Clusters
Cryst.Growth Des., 2021
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6F3I
 | | IRAK4 IN COMPLEX WITH inhibitor | | 分子名称: | (3~{R})-3-[4-[[4-(4-ethanoylpiperazin-1-yl)cyclohexyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]butanamide, 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 | | 実験手法 | X-RAY DIFFRACTION (2.14 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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8A6F
 | | Small molecule stabilizer (compound 8) for C-RAF and 14-3-3 | | 分子名称: | 1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one, 14-3-3 protein sigma, CHLORIDE ION, ... | | 著者 | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | | 登録日 | 2022-06-17 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
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6P98
 | | OXA-48 carbapanemase, meropenem complex | | 分子名称: | Beta-lactamase, CADMIUM ION, CALCIUM ION, ... | | 著者 | Smith, C.A, Vakulenko, S.B. | | 登録日 | 2019-06-10 | | 公開日 | 2019-08-07 | | 最終更新日 | 2019-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Antimicrob.Agents Chemother., 63, 2019
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5FVB
 | | CRYSTAL STRUCTURE OF PHORMIDIUM C-PHYCOERYTHRIN AT PH 5.0 | | 分子名称: | C-PHYCOERYTHRIN ALPHA SUBUNIT, C-PHYCOERYTHRIN BETA SUBUNIT, GLYCEROL, ... | | 著者 | Kumar, V, Sonani, R.R, Sharma, M, Gupta, G.D, Madamwar, D. | | 登録日 | 2016-02-05 | | 公開日 | 2016-06-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Crystal Structure Analysis of C-Phycoerythrin from Marine Cyanobacterium Phormidium Sp. A09Dm.
Photosynth.Res., 129, 2016
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7ZRX
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6Y7P
 | | The complex between the eight-bladed symmetrical designer protein Tako8 and 1:2 zirconium(IV) Wells-Dawson (ZrWD) | | 分子名称: | Tako8, W-Zr-cluster | | 著者 | Vandebroek, L, Noguchi, H, Parac-Vogt, T.N, Van Meervelt, L, Voet, A.R.D. | | 登録日 | 2020-03-02 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Shape and Size Complementarity-Induced Formation of Supramolecular Protein Assemblies with Metal-Oxo Clusters
Cryst.Growth Des., 2021
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6J5B
 | | Structural basis for the target DNA recognition and binding by the MYB domain of phosphate starvation response regulator 1 | | 分子名称: | DNA (5'-D(*GP*GP*TP*AP*CP*AP*GP*TP*AP*TP*AP*TP*AP*CP*CP*AP*TP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*TP*GP*GP*TP*AP*TP*AP*TP*AP*CP*TP*GP*TP*AP*CP*C)-3'), Protein PHOSPHATE STARVATION RESPONSE 1 | | 著者 | Jiang, M.Q, Sun, L.F, Isupov, M.N, Wu, Y.K. | | 登録日 | 2019-01-10 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural basis for the Target DNA recognition and binding by the MYB domain of phosphate starvation response 1.
Febs J., 286, 2019
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8RFY
 | | High pH (8.0) as-isolated MSOX movie series dataset 30 of the copper nitrite reductase from Bradyrhizobium sp. ORS375 (two-domain) [12.3 MGy] | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ... | | 著者 | Rose, S.L, Ferroni, F.M, Antonyuk, S.V, Eady, R.R, Hasnain, S.S. | | 登録日 | 2023-12-13 | | 公開日 | 2024-07-24 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
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6F3S
 | | The crystal structure of Glycogen Phosphorylase in complex with 10d | | 分子名称: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-phenylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | | 著者 | Kyriakis, E, Stamati, E.C.V, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2017-11-28 | | 公開日 | 2018-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A multidisciplinary study of 3-( beta-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors.
Eur J Med Chem, 147, 2018
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5FQN
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7PTF
 | | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with novobiocin | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA gyrase subunit B, ... | | 著者 | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | 登録日 | 2021-09-27 | | 公開日 | 2022-10-05 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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6Y3J
 | | RING-DTC domains of Deltex 2, bound to ADP-ribose | | 分子名称: | ADENOSINE-5-DIPHOSPHORIBOSE, Probable E3 ubiquitin-protein ligase DTX2, ZINC ION | | 著者 | Gabrielssen, M, Buetow, L, Huang, D.T. | | 登録日 | 2020-02-18 | | 公開日 | 2020-09-02 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | DELTEX2 C-terminal domain recognizes and recruits ADP-ribosylated proteins for ubiquitination.
Sci Adv, 6, 2020
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