8XB0
| Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 292 | Descriptor: | 1,2-ETHANEDIOL, 7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-8-fluoranyl-2-methyl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ... | Authors: | Tong, S.L, Zhang, G.P. | Deposit date: | 2023-12-05 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | 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
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9EQH
| WWP2 WW2-2,3-linker-HECT (WWP2-LH) | Descriptor: | GLYCEROL, Isoform 2 of NEDD4-like E3 ubiquitin-protein ligase WWP2, SODIUM ION | Authors: | Dudey, A.P, Hemmings, A.M. | Deposit date: | 2024-03-21 | Release date: | 2024-05-15 | Last modified: | 2024-09-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Expanding the inhibitor space of the WWP1 and WWP2 HECT E3 ligases. J Enzyme Inhib Med Chem, 39, 2024
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8VMQ
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8VN0
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9DAM
| A DARPin fused to the 1TEL crystallization chaperone via a direct helical fusion | Descriptor: | ACETIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | 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. | Deposit date: | 2024-08-22 | Release date: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Optimal TELSAM-Target Protein Linker Character is Target Protein Dependent To Be Published
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9FDJ
| Crystal structure of the NuoEF variant R66G (NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions (short soak) | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-17 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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9EPL
| Mpro from SARS-CoV-2 with 298Q mutation | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Non-structural protein 11, ... | Authors: | Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y. | Deposit date: | 2024-03-18 | Release date: | 2024-04-17 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | SARS-CoV-2 M pro oligomerization as a potential target for therapy. Int.J.Biol.Macromol., 267, 2024
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9BCZ
| Chicken 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1 (PLCZ1) in complex with calcium and phosphorylated threonine | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | 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) | Deposit date: | 2024-04-10 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Chicken 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1 (PLCZ1) in complex with calcium and phosphorylated threonine To be published
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8VN9
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8WUG
| The Crystal Structure of JMJD2D from Biortus. | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Lysine-specific demethylase 4D, ... | Authors: | Wang, F, Cheng, W, Yuan, Z, Lin, D, Guo, S. | Deposit date: | 2023-10-20 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Crystal Structure of JMJD2D from Biortus. To Be Published
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8VNN
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8XET
| High-resolution structure of the siderophore periplasmic binding protein FtsB from Streptococcus pyogenes | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, ... | Authors: | Caaveiro, J.M.M, Fernandez-Perez, J, Tsumoto, K. | Deposit date: | 2023-12-13 | Release date: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Conserved binding mechanism for ligand promiscuity in the hydroxamate siderophore binding protein FtsB from Streptococcus pyogenes Structure
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9FYM
| Lacto-N-biosidase from Treponema denticola ATCC 35405 | Descriptor: | Glycoside hydrolase family 20 catalytic domain-containing protein, IMIDAZOLE, SODIUM ION, ... | Authors: | Vuillemin, M, Siebenhaar, S, Zeuner, B, Morth, J.P. | Deposit date: | 2024-07-03 | Release date: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Discovery of Lacto-N-biosidases and a Novel N-Acetyllactosaminidase Activity in the CAZy Family GH20: Functional Diversity and Structural Insights. Chembiochem, 2024
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9FQI
| E3 ligase Cbl-b in complex with a lactam scaffold inhibitor (compound 7) | Descriptor: | 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, ... | Authors: | Schimpl, M. | Deposit date: | 2024-06-17 | Release date: | 2024-07-31 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.954 Å) | Cite: | Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design. J.Med.Chem., 67, 2024
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8VMY
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8VN8
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9DB5
| A DARPin fused to the 1TEL crystallization chaperone via a proline-alanine linker | Descriptor: | ACETIC ACID, CHLORIDE ION, SODIUM ION, ... | Authors: | 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. | Deposit date: | 2024-08-23 | Release date: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Optimal TELSAM-Target Protein Linker Character is Target Protein Dependent To Be Published
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9FQJ
| E3 ligase Cbl-b in complex with a carbamate scaffold inhibitor (compound 12) | Descriptor: | 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, ... | Authors: | Schimpl, M. | Deposit date: | 2024-06-17 | Release date: | 2024-07-31 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.563 Å) | Cite: | Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design. J.Med.Chem., 67, 2024
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8VNJ
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9C6L
| Yasminevirus c12orf29, a 5' to 3' RNA ligase | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, RNA ligase1, ... | Authors: | Hu, Y, Lopez, V.A, Tagliabracci, V.S, Tomchick, D.R. | Deposit date: | 2024-06-07 | Release date: | 2024-10-02 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Biochemical and structural insights into a 5' to 3' RNA ligase reveal a potential role in tRNA ligation To Be Published
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9CRN
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8VNS
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9FE8
| Crystal Structure of reduced NuoEF variant P228R(NuoF) from Aquifex aeolicus | Descriptor: | 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, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-17 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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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. | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | 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. | Deposit date: | 2023-11-02 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Real-time observation of a metal complex-driven reaction intermediate using a porous protein crystal and serial femtosecond crystallography. Nat Commun, 15, 2024
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8VTP
| Structure of FabS1CE-EPR-1, a high affinity antibody for the erythropoeitin receptor | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, AMMONIUM ION, ... | Authors: | Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sidhu, S.S. | Deposit date: | 2024-01-26 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Antigen-binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones. Protein Sci., 33, 2024
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