8PDY
| E. coli RNA polymerase paused at ops site | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Zuber, P.K, Said, N, Hilal, T, Loll, B, Wahl, M.C, Knauer, S.H. | Deposit date: | 2023-06-13 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Concerted transformation of a hyper-paused transcription complex and its reinforcing protein. Nat Commun, 15, 2024
|
|
8PDG
| The phosphatase and C2 domains of SHIP1 with covalent Z2738285202 | Descriptor: | DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1, ~{N}-(8-chloranylquinolin-2-yl)propanamide | Authors: | Bradshaw, W.J, Moreira, T, Scacioc, A, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O. | Deposit date: | 2023-06-12 | Release date: | 2023-06-28 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2. Structure, 32, 2024
|
|
8PDE
| Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC4 deacetylase binding motif | Descriptor: | DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)-3'), HDAC4 (histone deacetylase 4) binding motif peptide:GSGEVKMKLQEFVLNKK, ... | Authors: | Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | Deposit date: | 2023-06-12 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA. J.Mol.Biol., 436, 2024
|
|
8PDD
| Thioredoxin glutathione reductase of Schistosoma mansoni at 1.25A resolution. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-12 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
|
|
8PDC
| |
8PDA
| cryo-EM structure of Doa10 with RING domain in MSP1E3D1 | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ERAD-associated E3 ubiquitin-protein ligase DOA10 | Authors: | Botsch, J.J, Braeuning, B, Schulman, B.A. | Deposit date: | 2023-06-12 | Release date: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Doa10/MARCH6 architecture interconnects E3 ligase activity with lipid-binding transmembrane channel to regulate SQLE. Nat Commun, 15, 2024
|
|
8PD6
| Crystal structure of the TRIM58 PRY-SPRY domain in complex with TRIM-473 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, E3 ubiquitin-protein ligase TRIM58, ... | Authors: | Renatus, M, Hoegenauer, K, Schroeder, M. | Deposit date: | 2023-06-11 | Release date: | 2024-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of Ligands for TRIM58, a Novel Tissue-Selective E3 Ligase. Acs Med.Chem.Lett., 14, 2023
|
|
8PD4
| |
8PD1
| Pseudomonas aeruginosa FabF C164A mutant in complex with N-isopropyl-1H-imidazole-4-carboxamide | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Georgiou, C, Brenk, R, Yadrykhinsky, V, Espeland, L.O. | Deposit date: | 2023-06-11 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
|
|
8PD0
| cryo-EM structure of Doa10 in MSP1E3D1 | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ERAD-associated E3 ubiquitin-protein ligase DOA10 | Authors: | Botsch, J.J, Braeuning, B, Schulman, B.A. | Deposit date: | 2023-06-11 | Release date: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Doa10/MARCH6 architecture interconnects E3 ligase activity with lipid-binding transmembrane channel to regulate SQLE. Nat Commun, 15, 2024
|
|
8PC7
| |
8PBW
| |
8PBT
| |
8PBS
| |
8PBO
| Deep interactome learning for generative drug design | Descriptor: | 3-[2-fluoranyl-4-[3-[2-fluoranyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]propoxy]phenyl]propanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ... | Authors: | Hakansson, M, Focht, D, Atz, K, Schneider, G. | Deposit date: | 2023-06-09 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Prospective de novo drug design with deep interactome learning. Nat Commun, 15, 2024
|
|
8PBN
| Mutant R1789Q of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoorotate | Descriptor: | 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ... | Authors: | del Cano-Ochoa, F, Ramon-Maiques, S. | Deposit date: | 2023-06-09 | Release date: | 2023-11-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Beyond genetics: Deciphering the impact of missense variants in CAD deficiency. J Inherit Metab Dis, 46, 2023
|
|
8PBM
| |
8PBK
| Mutant R1722W of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoorotate | Descriptor: | 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ... | Authors: | del Cano-Ochoa, F, Ramon-Maiques, S. | Deposit date: | 2023-06-09 | Release date: | 2023-11-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Beyond genetics: Deciphering the impact of missense variants in CAD deficiency. J Inherit Metab Dis, 46, 2023
|
|
8PBJ
| |
8PBG
| Mutant K1556T of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoroorotate | Descriptor: | 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ... | Authors: | del Cano-Ochoa, F, Ramon-Maiques, S. | Deposit date: | 2023-06-09 | Release date: | 2023-11-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Beyond genetics: Deciphering the impact of missense variants in CAD deficiency. J Inherit Metab Dis, 46, 2023
|
|
8PBE
| |
8PB9
| Cryo-EM structure of the c-di-GMP-bound FleQ-FleN master regulator complex from Pseudomonas aeruginosa | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Antiactivator FleN, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Torres-Sanchez, L.T, Krasteva, P.V. | Deposit date: | 2023-06-08 | Release date: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structures of the P. aeruginosa FleQ-FleN master regulators reveal large-scale conformational switching in motility and biofilm control. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8PB8
| PsiM in complex with SAH | Descriptor: | CHLORIDE ION, HEXAETHYLENE GLYCOL, Psilocybin synthase, ... | Authors: | Werten, S, Hudspeth, J, Rupp, B. | Deposit date: | 2023-06-08 | Release date: | 2024-04-03 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.531 Å) | Cite: | Methyl transfer in psilocybin biosynthesis. Nat Commun, 15, 2024
|
|
8PB0
| Crystal structure of the metallo-beta-lactamase VIM1 with 2696 | Descriptor: | 7-[(1~{S})-1-[4-[[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]methyl]-1,2,3-triazol-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-08 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2696 To Be Published
|
|
8PAZ
| OXIDIZED NATIVE PSEUDOAZURIN FROM A. FAECALIS | Descriptor: | COPPER (II) ION, PSEUDOAZURIN | Authors: | Adman, E.T, Libeu, C.A.P. | Deposit date: | 1997-02-24 | Release date: | 1997-08-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Site-directed mutants of pseudoazurin: explanation of increased redox potentials from X-ray structures and from calculation of redox potential differences. Biochemistry, 36, 1997
|
|