PDB: 45744 件ウェブページステータス検索Chemie searchBIRD

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8XB0	Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 292 分子名称: 1,2-ETHANEDIOL, 7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-8-fluoranyl-2-methyl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ... 著者 Tong, S.L, Zhang, G.P. 登録日 2023-12-05 公開日 2024-06-26 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy. J.Med.Chem., 67, 2024
8VMQ	Homing endonuclease I-PpoI-DNA complex:reaction at pH7.0 (K+ MES) with 500 uM Mg2+ for 20s 分子名称: DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*AP*GP*TP*CP*A)-3'), GLYCEROL, Intron-encoded endonuclease I-PpoI, ... 著者 Chang, C, Gao, Y. 登録日 2024-01-13 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Homing endonuclease I-PpoI-DNA complex:reaction with 500 uM Mg2+ for 160s To Be Published
9EQH	WWP2 WW2-2,3-linker-HECT (WWP2-LH) 分子名称: GLYCEROL, Isoform 2 of NEDD4-like E3 ubiquitin-protein ligase WWP2, SODIUM ION 著者 Dudey, A.P, Hemmings, A.M. 登録日 2024-03-21 公開日 2024-05-15 最終更新日 2024-09-18 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Expanding the inhibitor space of the WWP1 and WWP2 HECT E3 ligases. J Enzyme Inhib Med Chem, 39, 2024
9DAM	A DARPin fused to the 1TEL crystallization chaperone via a direct helical fusion 分子名称: ACETIC ACID, CHLORIDE ION, MAGNESIUM ION, ... 著者 Pedroza Romo, M.J, Averett, J.C, Keliiliki, A, Wilson, E.W, Smith, C, Hansen, D, Averett, B, Gonzalez, J, Noakes, E.W, Nickles, R, Doukov, T, Moody, J.D. 登録日 2024-08-22 公開日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Optimal TELSAM-Target Protein Linker Character is Target Protein Dependent To Be Published
8VN0	Homing endonuclease I-PpoI-DNA complex:reaction at pH6.0 (K+ MES) with 500 uM Mg2+ for 80s 分子名称: DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*AP*GP*TP*CP*A)-3'), GLYCEROL, Intron-encoded endonuclease I-PpoI, ... 著者 Chang, C, Gao, Y. 登録日 2024-01-13 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Homing endonuclease I-PpoI-DNA complex:reaction with 500 uM Mg2+ for 160s To Be Published
9FDJ	Crystal structure of the NuoEF variant R66G (NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions (short soak) 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... 著者 Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. 登録日 2024-05-17 公開日 2024-07-17 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
9EPL	Mpro from SARS-CoV-2 with 298Q mutation 分子名称: 1,2-ETHANEDIOL, GLYCEROL, Non-structural protein 11, ... 著者 Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y. 登録日 2024-03-18 公開日 2024-04-17 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 SARS-CoV-2 M pro oligomerization as a potential target for therapy. Int.J.Biol.Macromol., 267, 2024
8VN9	Homing endonuclease I-PpoI-DNA complex:reaction at pH8.0 (Tris) with 500 uM Mg2+ for 80s 分子名称: DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*AP*GP*TP*CP*A)-3'), GLYCEROL, Intron-encoded endonuclease I-PpoI, ... 著者 Chang, C, Gao, Y. 登録日 2024-01-13 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Homing endonuclease I-PpoI-DNA complex:reaction with 500 uM Mg2+ for 160s To Be Published
9BCZ	Chicken 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1 (PLCZ1) in complex with calcium and phosphorylated threonine 分子名称: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... 著者 Edwards, M.M, Dong, A, Theo-Emegano, N, Seitova, A, Loppnau, P, Leung, R, Li, H, Ilyassov, O, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium, Structural Genomics Consortium (SGC) 登録日 2024-04-10 公開日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Chicken 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1 (PLCZ1) in complex with calcium and phosphorylated threonine To be published
8VNN	Homing endonuclease I-PpoI-DNA complex:reaction at pH6.0 (K+ MES) with 500 uM Mn2+ for 480s 分子名称: DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*A)-3'), DNA (5'-D(P*GP*AP*GP*AP*GP*TP*CP*A)-3'), GLYCEROL, ... 著者 Chang, C, Gao, Y. 登録日 2024-01-13 公開日 2024-07-10 最終更新日 2024-07-17 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Homing endonuclease I-PpoI-DNA complex:reaction with 500 uM Mg2+ for 160s To Be Published
8WUG	The Crystal Structure of JMJD2D from Biortus. 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Lysine-specific demethylase 4D, ... 著者 Wang, F, Cheng, W, Yuan, Z, Lin, D, Guo, S. 登録日 2023-10-20 公開日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 The Crystal Structure of JMJD2D from Biortus. To Be Published
8XET	High-resolution structure of the siderophore periplasmic binding protein FtsB from Streptococcus pyogenes 分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, ... 著者 Caaveiro, J.M.M, Fernandez-Perez, J, Tsumoto, K. 登録日 2023-12-13 公開日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.11 Å) 主引用文献 Conserved binding mechanism for ligand promiscuity in the hydroxamate siderophore binding protein FtsB from Streptococcus pyogenes Structure
9FYM	Lacto-N-biosidase from Treponema denticola ATCC 35405 分子名称: Glycoside hydrolase family 20 catalytic domain-containing protein, IMIDAZOLE, SODIUM ION, ... 著者 Vuillemin, M, Siebenhaar, S, Zeuner, B, Morth, J.P. 登録日 2024-07-03 公開日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.34 Å) 主引用文献 Discovery of Lacto-N-biosidases and a Novel N-Acetyllactosaminidase Activity in the CAZy Family GH20: Functional Diversity and Structural Insights. Chembiochem, 2024
9FQI	E3 ligase Cbl-b in complex with a lactam scaffold inhibitor (compound 7) 分子名称: 8-[3-[(4~{R})-4-methyl-2-oxidanylidene-piperidin-4-yl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... 著者 Schimpl, M. 登録日 2024-06-17 公開日 2024-07-31 最終更新日 2024-09-04 実験手法 X-RAY DIFFRACTION (1.954 Å) 主引用文献 Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design. J.Med.Chem., 67, 2024
8VMY	Homing endonuclease I-PpoI-DNA complex:reaction at pH6.0 (K+ MES) with 500 uM Mg2+ for 20s 分子名称: DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*AP*GP*TP*CP*A)-3'), GLYCEROL, Intron-encoded endonuclease I-PpoI, ... 著者 Chang, C, Gao, Y. 登録日 2024-01-13 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Homing endonuclease I-PpoI-DNA complex:reaction with 500 uM Mg2+ for 160s To Be Published
8VN8	Homing endonuclease I-PpoI-DNA complex:reaction at pH8.0 (Tris) with 500 uM Mg2+ for 40s 分子名称: DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*AP*GP*TP*CP*A)-3'), GLYCEROL, Intron-encoded endonuclease I-PpoI, ... 著者 Chang, C, Gao, Y. 登録日 2024-01-13 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Homing endonuclease I-PpoI-DNA complex:reaction with 500 uM Mg2+ for 160s To Be Published
9FQJ	E3 ligase Cbl-b in complex with a carbamate scaffold inhibitor (compound 12) 分子名称: 2-cyclopropyl-6-methyl-~{N}-[3-[(6~{S})-6-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]phenyl]pyrimidine-4-carboxamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... 著者 Schimpl, M. 登録日 2024-06-17 公開日 2024-07-31 最終更新日 2024-09-04 実験手法 X-RAY DIFFRACTION (1.563 Å) 主引用文献 Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design. J.Med.Chem., 67, 2024
9DB5	A DARPin fused to the 1TEL crystallization chaperone via a proline-alanine linker 分子名称: ACETIC ACID, CHLORIDE ION, SODIUM ION, ... 著者 Pedroza Romo, M.J, Averett, J.C, Keliiliki, A, Wilson, E.W, Smith, C, Hansen, D, Averett, B, Gonzalez, J, Noakes, E, Nickles, R, Doukov, T, Moody, J.D. 登録日 2024-08-23 公開日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Optimal TELSAM-Target Protein Linker Character is Target Protein Dependent To Be Published
8VNJ	Homing endonuclease I-PpoI-DNA complex:reaction at pH6.0 (K+ MES) with 500 uM Mn2+ for 120s 分子名称: DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*AP*GP*TP*CP*A)-3'), GLYCEROL, Intron-encoded endonuclease I-PpoI, ... 著者 Chang, C, Gao, Y. 登録日 2024-01-13 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Homing endonuclease I-PpoI-DNA complex:reaction with 500 uM Mg2+ for 160s To Be Published
9C6L	Yasminevirus c12orf29, a 5' to 3' RNA ligase 分子名称: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, RNA ligase1, ... 著者 Hu, Y, Lopez, V.A, Tagliabracci, V.S, Tomchick, D.R. 登録日 2024-06-07 公開日 2024-10-02 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Biochemical and structural insights into a 5' to 3' RNA ligase reveal a potential role in tRNA ligation To Be Published
9CRN	Crystal structure of Streptococcus pyogenes TglA 分子名称: GLYCEROL, SODIUM ION, Transglutaminase-like domain-containing protein 著者 Campbell, I.R, Neiditch, M.B. 登録日 2024-07-22 公開日 2024-08-14 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Crystal structure of Streptococcus pyogenes TglA To Be Published
8VNS	Homing endonuclease I-PpoI-DNA complex:reaction at pH6.0 (K+ MES) with 200 mM Mn2+ for 600s 分子名称: DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*A)-3'), DNA (5'-D(P*GP*AP*GP*AP*GP*TP*CP*A)-3'), Intron-encoded endonuclease I-PpoI, ... 著者 Chang, C, Gao, Y. 登録日 2024-01-13 公開日 2024-07-10 最終更新日 2024-07-17 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Homing endonuclease I-PpoI-DNA complex:reaction with 500 uM Mg2+ for 160s To Be Published
8VTP	Structure of FabS1CE-EPR-1, a high affinity antibody for the erythropoeitin receptor 分子名称: 1,2-ETHANEDIOL, ACETATE ION, AMMONIUM ION, ... 著者 Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sidhu, S.S. 登録日 2024-01-26 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Antigen-binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones. Protein Sci., 33, 2024
8WZV	SFX structure of an Mn-carbonyl complex immobilized in hen egg white lysozyme microcrystals, 1 microsecond after photoexcitation with 40 microJoules laser intensity at RT. 分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ... 著者 Maity, B, Shoji, M, Luo, F, Nakane, T, Abe, S, Owada, S, Kang, J, Tono, K, Tanaka, R, Thuc, T.T, Kojima, M, Hishikawa, Y, Tanaka, J, Tian, J, Noya, H, Nakasuji, Y, Asanuma, A, Yao, X, Iwata, S, Shigeta, Y, Nango, E, Ueno, T. 登録日 2023-11-02 公開日 2024-07-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Real-time observation of a metal complex-driven reaction intermediate using a porous protein crystal and serial femtosecond crystallography. Nat Commun, 15, 2024
9FE8	Crystal Structure of reduced NuoEF variant P228R(NuoF) from Aquifex aeolicus 分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, ... 著者 Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. 登録日 2024-05-17 公開日 2024-07-17 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024

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