8U5Z
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![BU of 8u5z by Molmil](/molmil-images/mine/8u5z) | Structure of Mango II variant aptamer bound to T01-7M-B | Descriptor: | 2-[(E)-(1,7-dimethylquinolin-4(1H)-ylidene)methyl]-3-{2,16-dioxo-20-[(3aR,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium, Mango II variant, POTASSIUM ION, ... | Authors: | Passalacqua, L.F.M, Ferre-D'Amare, A.R. | Deposit date: | 2023-09-13 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Mango II variant aptamer bound to T01-7M-B To Be Published
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6O0R
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![BU of 6o0r by Molmil](/molmil-images/mine/6o0r) | Crystal structure of the TIR domain from human SARM1 in complex with glycerol | Descriptor: | GLYCEROL, Sterile alpha and TIR motif-containing protein 1 | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Deerain, N, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | Deposit date: | 2019-02-17 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways. Science, 365, 2019
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7ANU
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![BU of 7anu by Molmil](/molmil-images/mine/7anu) | Crystal structure of Pyrococcus abyssi Pbp11 | Descriptor: | GLYCEROL, IMIDAZOLE, NICKEL (II) ION, ... | Authors: | Hogrel, G, Girard, E, Franzetti, B. | Deposit date: | 2020-10-12 | Release date: | 2021-11-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Characterization of a small tRNA-binding protein that interacts with the archaeal proteasome complex. Mol.Microbiol., 118, 2022
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6SJ6
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![BU of 6sj6 by Molmil](/molmil-images/mine/6sj6) | Cryo-EM structure of 50S-RsfS complex from Staphylococcus aureus | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Khusainov, I, Pellegrino, S, Yusupova, G, Yusupov, M, Fatkhullin, B. | Deposit date: | 2019-08-12 | Release date: | 2020-04-08 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Mechanism of ribosome shutdown by RsfS in Staphylococcus aureus revealed by integrative structural biology approach. Nat Commun, 11, 2020
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8G41
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![BU of 8g41 by Molmil](/molmil-images/mine/8g41) | Horse liver alcohol dehydrogense His-51-Gln form complexed with NADH | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Plapp, B.V. | Deposit date: | 2023-02-08 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Histidine-51 facilitates deprotonatation of the zinc-bound ligand during catalysis by horse liver alcohol dehydrogenase To Be Published
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5LVS
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![BU of 5lvs by Molmil](/molmil-images/mine/5lvs) | Self-assembled protein-aromatic foldamer complexes with 2:3 and 2:2:1 stoichiometries | Descriptor: | 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid, ... | Authors: | Jewginski, M, LANGLOIS D'ESTAINTOT, B, Granier, T, Huc, Y. | Deposit date: | 2016-09-14 | Release date: | 2017-03-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries. J. Am. Chem. Soc., 139, 2017
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8G4G
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![BU of 8g4g by Molmil](/molmil-images/mine/8g4g) | Crystal Engineering with One 8-mer DNA | Descriptor: | DNA (5'-D(*AP*TP*CP*GP*G)-3'), DNA (5'-D(*AP*TP*CP*GP*GP*CP*CP*G)-3'), DNA (5'-D(P*CP*CP*G)-3') | Authors: | Zhao, J, Zhang, C, Lu, B, Seeman, N.C, Noinaj, N, Sha, R, Mao, C. | Deposit date: | 2023-02-09 | Release date: | 2023-05-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Divergence and Convergence: Complexity Emerges in Crystal Engineering from an 8-mer DNA. J.Am.Chem.Soc., 145, 2023
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7QSG
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![BU of 7qsg by Molmil](/molmil-images/mine/7qsg) | |
7C0I
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![BU of 7c0i by Molmil](/molmil-images/mine/7c0i) | Crystal structure of chimeric mutant of E3L in complex with Z-DNA | Descriptor: | DNA (5'-D(*TP*CP*GP*CP*GP*CP*G)-3'), Double-stranded RNA-binding protein,Double-stranded RNA-specific adenosine deaminase, SULFATE ION | Authors: | Choi, H.J, Park, C.H, Kim, J.S. | Deposit date: | 2020-05-01 | Release date: | 2020-12-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Dual conformational recognition by Z-DNA binding protein is important for the B-Z transition process. Nucleic Acids Res., 48, 2020
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6ZXN
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![BU of 6zxn by Molmil](/molmil-images/mine/6zxn) | |
8G3R
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![BU of 8g3r by Molmil](/molmil-images/mine/8g3r) | |
6Q4V
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![BU of 6q4v by Molmil](/molmil-images/mine/6q4v) | KlenTaq DNA polymerase in complex with dATP | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*CP*TP*GP*TP*GP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ... | Authors: | Kropp, H.M, Diederichs, K, Marx, A. | Deposit date: | 2018-12-06 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.006 Å) | Cite: | The Structure of an Archaeal B-Family DNA Polymerase in Complex with a Chemically Modified Nucleotide. Angew.Chem.Int.Ed.Engl., 58, 2019
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7OO0
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![BU of 7oo0 by Molmil](/molmil-images/mine/7oo0) | Mechanosensitive channel MscS solubilized with DDM in open conformation | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, Mechanosensitive channel MscS | Authors: | Rasmussen, T, Flegler, V.J, Boettcher, B. | Deposit date: | 2021-05-26 | Release date: | 2021-09-01 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Mechanosensitive channel gating by delipidation. Proc.Natl.Acad.Sci.USA, 118, 2021
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6OPO
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![BU of 6opo by Molmil](/molmil-images/mine/6opo) | Symmetric model of CD4- and 17-bound B41 HIV-1 Env SOSIP in complex with DDM | Descriptor: | 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | Deposit date: | 2019-04-25 | Release date: | 2020-10-21 | Last modified: | 2020-12-09 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | A Strain-Specific Inhibitor of Receptor-Bound HIV-1 Targets a Pocket near the Fusion Peptide. Cell Rep, 33, 2020
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8FAM
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![BU of 8fam by Molmil](/molmil-images/mine/8fam) | Edited Octopus bimaculoides Synaptotagmin 1 C2A (I248V) at room temperature | Descriptor: | Synaptotagmin | Authors: | McNeme, S, Dominguez, M.J, Birk, M.A, Rosenthal, J.J, Sutton, R.B. | Deposit date: | 2022-11-28 | Release date: | 2023-07-19 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Temperature-dependent RNA editing in octopus extensively recodes the neural proteome. Cell, 186, 2023
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6XB4
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![BU of 6xb4 by Molmil](/molmil-images/mine/6xb4) | |
7RAG
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![BU of 7rag by Molmil](/molmil-images/mine/7rag) | |
6VPX
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![BU of 6vpx by Molmil](/molmil-images/mine/6vpx) | |
7R96
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![BU of 7r96 by Molmil](/molmil-images/mine/7r96) | Self-Assembled 3D DNA Hexagonal Tensegrity Triangle | Descriptor: | DNA (5'-D(*AP*GP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*AP*CP*A)-3'), ... | Authors: | Lu, B, Vecchioni, S, Ohayon, Y.P, Sha, R, Mao, C, Seeman, N.C. | Deposit date: | 2021-06-28 | Release date: | 2021-10-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (5.68 Å) | Cite: | 3D Hexagonal Arrangement of DNA Tensegrity Triangles. Acs Nano, 15, 2021
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7OJP
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![BU of 7ojp by Molmil](/molmil-images/mine/7ojp) | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1 | Descriptor: | 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, MAGNESIUM ION | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | Deposit date: | 2021-05-17 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa . J.Med.Chem., 64, 2021
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8FQS
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![BU of 8fqs by Molmil](/molmil-images/mine/8fqs) | ADC-212 in complex with boronic acid transition state inhibitor MB076 | Descriptor: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ... | Authors: | Powers, R.A, Wallar, B.J, June, C.M. | Deposit date: | 2023-01-06 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum. J.Med.Chem., 66, 2023
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6OIE
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![BU of 6oie by Molmil](/molmil-images/mine/6oie) | |
6OWP
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![BU of 6owp by Molmil](/molmil-images/mine/6owp) | Horse liver F93W alcohol dehydrogenase complexed with NAD and trifluoroethanol | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ... | Authors: | Plapp, B.V. | Deposit date: | 2019-05-10 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Substitutions of Amino Acid Residues in the Substrate Binding Site of Horse Liver Alcohol Dehydrogenase Have Small Effects on the Structures but Significantly Affect Catalysis of Hydrogen Transfer. Biochemistry, 59, 2020
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8GP5
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![BU of 8gp5 by Molmil](/molmil-images/mine/8gp5) | Structure of X18 UFO protomer in complex with F6 Fab VHVL domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, F6 Fab VH domain, ... | Authors: | Niu, J, Xu, Y.W, Yang, B. | Deposit date: | 2022-08-25 | Release date: | 2023-08-09 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (4.05 Å) | Cite: | Structures and immune recognition of Env trimers from two Asia prevalent HIV-1 CRFs. Nat Commun, 14, 2023
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5N4S
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![BU of 5n4s by Molmil](/molmil-images/mine/5n4s) | VIM-2 metallo-beta-lactamase in complex with ((S)-3-mercapto-2-methylpropanoyl)-D-tryptophan (Compound 3) | Descriptor: | (2~{R})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid, Beta-lactamase VIM-2, FORMIC ACID, ... | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2017-02-11 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition. Chem. Commun. (Camb.), 53, 2017
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