8PHI
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![BU of 8phi by Molmil](/molmil-images/mine/8phi) | Crystal structure of prefusion-stabilized RSV F Variant DS-Cav1 in complex with Lonafarnib | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE, CALCIUM ION, ... | Authors: | Rajak, M, Krey, T. | Deposit date: | 2023-06-19 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.289 Å) | Cite: | Drug repurposing screen identifies lonafarnib as respiratory syncytial virus fusion protein inhibitor. Nat Commun, 15, 2024
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8PHD
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![BU of 8phd by Molmil](/molmil-images/mine/8phd) | Structure of Human Cdc123 bound to domain 3 of eIF2 gamma and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division cycle protein 123 homolog, Eukaryotic translation initiation factor 2 subunit 3, ... | Authors: | Schmitt, E, Mechulam, Y, Cardenal Peralta, C, Fagart, J, Seufert, W. | Deposit date: | 2023-06-19 | Release date: | 2023-08-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Binding of human Cdc123 to eIF2 gamma. J.Struct.Biol., 215, 2023
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8PHA
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![BU of 8pha by Molmil](/molmil-images/mine/8pha) | O(S)-methyltransferase from Pleurotus sapidus | Descriptor: | 2-HYDROXY BUTANE-1,4-DIOL, GLYCEROL, L-ornithine, ... | Authors: | Korf, L, Essen, L.-O. | Deposit date: | 2023-06-19 | Release date: | 2024-03-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | A Novel O - and S -Methyltransferase from Pleurotus sapidus Is Involved in Flavor Formation. J.Agric.Food Chem., 72, 2024
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8PH9
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![BU of 8ph9 by Molmil](/molmil-images/mine/8ph9) | E. coli RNA polymerase paused at ops site (non-complementary scaffold) | 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: | 2023-06-19 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Concerted transformation of a hyper-paused transcription complex and its reinforcing protein. Nat Commun, 15, 2024
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8PGM
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![BU of 8pgm by Molmil](/molmil-images/mine/8pgm) | Crystal structure of the metallo-beta-lactamase VIM1 with 3062 | Descriptor: | 3-[4-[(azanyl-methyl-oxidanyl-$l^{4}-sulfanyl)methyl]-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3062 To Be Published
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8PFZ
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![BU of 8pfz by Molmil](/molmil-images/mine/8pfz) | Pseudomonas aeruginosa FabF C164A mutant in complex with(S)-2-(1H-pyrazole-3-carboxamido)butanoic acid | Descriptor: | (2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, CHLORIDE ION, ... | Authors: | Georgiou, C, Brenk, R, Yadrykhinsky, V, Espeland, L.O. | Deposit date: | 2023-06-17 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
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8PFJ
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![BU of 8pfj by Molmil](/molmil-images/mine/8pfj) | fully recruited RfaH bound to E. coli transcription complex paused at ops site (not fully complementary scaffold; alternative state of RfaH) | 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: | 2023-06-16 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Concerted transformation of a hyper-paused transcription complex and its reinforcing protein. Nat Commun, 15, 2024
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8PFH
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![BU of 8pfh by Molmil](/molmil-images/mine/8pfh) | Crystal structure of the yeast septin complex Shs1-Cdc12-Cdc3-Cdc10 | Descriptor: | CDC10 isoform 1, CDC12 isoform 1, Cell division control protein 3, ... | Authors: | Grupp, B, Denkhaus, L, Gerhardt, S, Gronemeyer, T. | Deposit date: | 2023-06-16 | Release date: | 2023-12-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | The structure of a tetrameric septin complex reveals a hydrophobic element essential for NC-interface integrity. Commun Biol, 7, 2024
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8PFG
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![BU of 8pfg by Molmil](/molmil-images/mine/8pfg) | autoinhibited RfaH bound to E. coli transcription complex paused at ops site (encounter complex), not fully complementary scaffold | 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: | 2023-06-15 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Concerted transformation of a hyper-paused transcription complex and its reinforcing protein. Nat Commun, 15, 2024
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8PFE
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![BU of 8pfe by Molmil](/molmil-images/mine/8pfe) | |
8PF8
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![BU of 8pf8 by Molmil](/molmil-images/mine/8pf8) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-72 | Descriptor: | (2~{R})-3-bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boranyloxypropane-1,2-diol, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2023-06-15 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv, 2024
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8PF5
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![BU of 8pf5 by Molmil](/molmil-images/mine/8pf5) | Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 1-(3,4-dichlorobenzyl)-4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)carbamoyl)-1-(3-phenylpropyl)piperazin-1-ium | Descriptor: | 4-[(3,4-dichlorophenyl)methyl]-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Exertier, C, Antonelli, L, Fiorillo, A, Ilari, A. | Deposit date: | 2023-06-15 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis. J.Med.Chem., 67, 2024
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8PF4
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![BU of 8pf4 by Molmil](/molmil-images/mine/8pf4) | Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)(4-fluorophenyl)carbamoyl)-1-methyl-1-(3-phenylpropyl)piperazin-1-ium | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Exertier, C, Ilari, A, Fiorillo, A, Antonelli, L. | Deposit date: | 2023-06-15 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis. J.Med.Chem., 67, 2024
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8PF3
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![BU of 8pf3 by Molmil](/molmil-images/mine/8pf3) | Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 1-(3,4-dichlorobenzyl)-4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)(4-fluorophenyl)carbamoyl)-1-(3-phenylpropyl)piperazin-1-ium | Descriptor: | 4-[(3,4-dichlorophenyl)methyl]-~{N}-(4-fluorophenyl)-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Exertier, C, Ilari, A, Fiorillo, A, Antonelli, L. | Deposit date: | 2023-06-15 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis. J.Med.Chem., 67, 2024
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8PEP
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![BU of 8pep by Molmil](/molmil-images/mine/8pep) | H3K36me2 nucleosome-LEDGF/p75 PWWP domain complex - pose 2 | Descriptor: | Histone H2A, Histone H2B 1.1, Histone H3, ... | Authors: | Koutna, E, Kouba, T, Veverka, V. | Deposit date: | 2023-06-14 | Release date: | 2023-08-16 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | Multivalency of nucleosome recognition by LEDGF. Nucleic Acids Res., 51, 2023
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8PEO
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![BU of 8peo by Molmil](/molmil-images/mine/8peo) | H3K36me2 nucleosome-LEDGF/p75 PWWP domain complex | Descriptor: | (2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid, Histone H2A, Histone H2B 1.1, ... | Authors: | Koutna, E, Kouba, T, Veverka, V. | Deposit date: | 2023-06-14 | Release date: | 2023-08-16 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.69 Å) | Cite: | Multivalency of nucleosome recognition by LEDGF. Nucleic Acids Res., 51, 2023
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8PEN
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![BU of 8pen by Molmil](/molmil-images/mine/8pen) | fully recruited RfaH bound to E. coli transcription complex paused at ops site (alternative state of RfaH) | 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: | 2023-06-14 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Concerted transformation of a hyper-paused transcription complex and its reinforcing protein. Nat Commun, 15, 2024
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8PEJ
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![BU of 8pej by Molmil](/molmil-images/mine/8pej) | CjGH35 with a Galactosidase Activity-Based Probe | Descriptor: | (1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol, ACETATE ION, Beta-galactosidase, ... | Authors: | Offen, W.A, Davies, G.J. | Deposit date: | 2023-06-14 | Release date: | 2023-10-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The development of a broad-spectrum retaining beta-exo-galactosidase activity-based probe. Org.Biomol.Chem., 21, 2023
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8PEC
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![BU of 8pec by Molmil](/molmil-images/mine/8pec) | OXA-48_Q5-CAZ. Epistasis Arises from Shifting the Rate-Limiting Step during Enzyme Evolution | Descriptor: | 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Beta-lactamase, CHLORIDE ION | Authors: | Leiros, H.-K.S, Frohlich, C. | Deposit date: | 2023-06-13 | Release date: | 2024-02-14 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Epistasis arises from shifting the rate-limiting step during enzyme evolution of a beta-lactamase. Nat Catal, 7, 2024
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8PE8
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![BU of 8pe8 by Molmil](/molmil-images/mine/8pe8) | |
8PE4
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![BU of 8pe4 by Molmil](/molmil-images/mine/8pe4) | |
8PDY
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![BU of 8pdy by Molmil](/molmil-images/mine/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
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8PDG
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![BU of 8pdg by Molmil](/molmil-images/mine/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
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8PDE
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![BU of 8pde by Molmil](/molmil-images/mine/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
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8PDD
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![BU of 8pdd by Molmil](/molmil-images/mine/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
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