8B0S
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![BU of 8b0s by Molmil](/molmil-images/mine/8b0s) | SARS-COV-2 Main Protease adduct with Au(NHC)Cl | Descriptor: | 3C-like proteinase nsp5, GOLD ION | Authors: | Massai, L, Grifagni, D, Desantis, A, Geri, A, Calderone, V, Cantini, F, Messori, L, Banci, L. | Deposit date: | 2022-09-08 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Gold-Based Metal Drugs as Inhibitors of Coronavirus Proteins: The Inhibition of SARS-CoV-2 Main Protease by Auranofin and Its Analogs. Biomolecules, 12, 2022
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6RWM
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![BU of 6rwm by Molmil](/molmil-images/mine/6rwm) | SIVrcm intasome in complex with bictegravir | Descriptor: | Bictegravir, CHLORIDE ION, DNA (5'-D(*AP*AP*CP*TP*GP*GP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*TP*CP*TP*TP*AP*GP*C)-3'), ... | Authors: | Cherepanov, P, Nans, A, Cook, N. | Deposit date: | 2019-06-05 | Release date: | 2020-02-05 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Structural basis of second-generation HIV integrase inhibitor action and viral resistance. Science, 367, 2020
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5K3J
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![BU of 5k3j by Molmil](/molmil-images/mine/5k3j) | Crystals structure of Acyl-CoA oxidase-2 in Caenorhabditis elegans bound with FAD, ascaroside-CoA, and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Acyl-coenzyme A oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Zhang, X, Li, K, Jones, R.A, Bruner, S.D, Butcher, R.A. | Deposit date: | 2016-05-19 | Release date: | 2016-08-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structural characterization of acyl-CoA oxidases reveals a direct link between pheromone biosynthesis and metabolic state in Caenorhabditis elegans. Proc.Natl.Acad.Sci.USA, 113, 2016
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7R4Z
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7R5P
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6V72
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![BU of 6v72 by Molmil](/molmil-images/mine/6v72) | Crystal Structure of Metallo Beta Lactamase from Erythrobacter litoralis | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase II, CALCIUM ION, ... | Authors: | Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-12-06 | Release date: | 2019-12-25 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of Metallo Beta Lactamase from Erythrobacter litoralis To Be Published
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7R4V
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8EAL
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![BU of 8eal by Molmil](/molmil-images/mine/8eal) | SsoMCM hexamer bound to Mg/ADP-BeFx and DNA. Class 1. Merged particles from datasets with 3 different DNA entities | Descriptor: | DNA, MAGNESIUM ION, Minichromosome maintenance protein MCM, ... | Authors: | Meagher, M, Myasnikov, A, Enemark, E.J. | Deposit date: | 2022-08-29 | Release date: | 2022-12-14 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.34 Å) | Cite: | Two Distinct Modes of DNA Binding by an MCM Helicase Enable DNA Translocation. Int J Mol Sci, 23, 2022
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7R3S
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![BU of 7r3s by Molmil](/molmil-images/mine/7r3s) | FtrA/P19 of Rubrivivax gelatinosus in complex with Ni | Descriptor: | FtrA-P19 protein, GLYCEROL, NICKEL (II) ION, ... | Authors: | Morera, S, Vigouroux, A. | Deposit date: | 2022-02-07 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | New insights into the mechanism of iron transport through the bacterial Ftr system present in pathogens. Febs J., 289, 2022
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7R5G
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8JI1
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![BU of 8ji1 by Molmil](/molmil-images/mine/8ji1) | Crystal structure of Ham1 from Plasmodium falciparum | Descriptor: | Inosine triphosphate pyrophosphatase | Authors: | Pramanik, A, Datta, S. | Deposit date: | 2023-05-25 | Release date: | 2024-05-29 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-function analysis of nucleotide housekeeping protein HAM1 from human malaria parasite Plasmodium falciparum. Febs J., 2024
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6EON
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![BU of 6eon by Molmil](/molmil-images/mine/6eon) | Galactanase BT0290 | Descriptor: | Beta-galactosidase, CALCIUM ION, alpha-D-galactopyranose | Authors: | Basle, A, Munoz, J, Gilbert, H. | Deposit date: | 2017-10-10 | Release date: | 2017-11-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation. Nat Microbiol, 3, 2018
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8EAI
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![BU of 8eai by Molmil](/molmil-images/mine/8eai) | SsoMCM hexamer bound to Mg/ADP-BeFx and 16-mer oligo-dT. Class 2 | Descriptor: | 16-mer oligo-dT, MAGNESIUM ION, Minichromosome maintenance protein MCM, ... | Authors: | Meagher, M, Myasnikov, A, Enemark, E.J. | Deposit date: | 2022-08-29 | Release date: | 2022-12-14 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Two Distinct Modes of DNA Binding by an MCM Helicase Enable DNA Translocation. Int J Mol Sci, 23, 2022
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8QWN
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![BU of 8qwn by Molmil](/molmil-images/mine/8qwn) | Structure of p53 cancer mutant Y220C (hexagonal crystal form) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cellular tumor antigen p53, ... | Authors: | Balourdas, D.I, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2023-10-19 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Structural basis of p53 inactivation by cavity-creating cancer mutations and its implications for the development of mutant p53 reactivators. Cell Death Dis, 15, 2024
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7MH2
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4QYX
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![BU of 4qyx by Molmil](/molmil-images/mine/4qyx) | Crystal structure of YDR533Cp | Descriptor: | Probable chaperone protein HSP31 | Authors: | Wilson, M.A, Amour, S.T, Collins, J.L, Ringe, D, Petsko, G.A. | Deposit date: | 2014-07-26 | Release date: | 2014-08-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | The 1.8-A resolution crystal structure of YDR533Cp from Saccharomyces cerevisiae: A member of the DJ-1/ThiJ/PfpI superfamily. Proc.Natl.Acad.Sci.USA, 101, 2004
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6RFU
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![BU of 6rfu by Molmil](/molmil-images/mine/6rfu) | In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of ATP and GMP as genuine co-factors | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase | Authors: | Nass, K, Redecke, L, Perbandt, M, Yefanov, O, Gabdulkhakov, A, Duszenko, M, Chapman, H.N, Betzel, C. | Deposit date: | 2019-04-16 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of genuine co-factors. Nat Commun, 11, 2020
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7RGG
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![BU of 7rgg by Molmil](/molmil-images/mine/7rgg) | Room temperature serial crystal structure of Glutaminase C in complex with inhibitor BPTES | Descriptor: | Glutaminase kidney isoform, mitochondrial 68 kDa chain, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide) | Authors: | Milano, S.K, Finke, A, Cerione, R.A. | Deposit date: | 2021-07-15 | Release date: | 2022-05-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | New insights into the molecular mechanisms of glutaminase C inhibitors in cancer cells using serial room temperature crystallography. J.Biol.Chem., 298, 2022
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6UUY
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5JWI
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![BU of 5jwi by Molmil](/molmil-images/mine/5jwi) | Crystal structure of Porphyromonas endodontalis DPP11 in complex with dipeptide Arg-Glu | Descriptor: | ARGININE, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, ... | Authors: | Bezerra, G.A, Fedosyuk, S, Ohara-Nemoto, Y, Nemoto, T.K, Djinovic-Carugo, K. | Deposit date: | 2016-05-12 | Release date: | 2017-06-14 | Last modified: | 2017-06-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Bacterial protease uses distinct thermodynamic signatures for substrate recognition. Sci Rep, 7, 2017
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6S2T
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4R18
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![BU of 4r18 by Molmil](/molmil-images/mine/4r18) | Ligand-induced Lys33-Thr1 crosslinking at subunit beta5 of the yeast 20S proteasome | Descriptor: | ALPHA-AMINOBUTYRIC ACID, MAGNESIUM ION, PROTEASOME SUBUNIT ALPHA TYPE-1, ... | Authors: | Dubiella, C, Cui, H, Gersch, M, Brouwer, A.J, Sieber, S.A, Krueger, A, Liskamp, R, Groll, M. | Deposit date: | 2014-08-04 | Release date: | 2014-10-15 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Selective inhibition of the immunoproteasome by ligand-induced crosslinking of the active site. Angew.Chem.Int.Ed.Engl., 53, 2014
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8EAM
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![BU of 8eam by Molmil](/molmil-images/mine/8eam) | SsoMCM hexamer bound to Mg/ADP-BeFx and DNA. Class 2. Merged particles from datasets with 3 different DNA entities | Descriptor: | DNA, MAGNESIUM ION, Minichromosome maintenance protein MCM, ... | Authors: | Meagher, M, Myasnikov, A, Enemark, E.J. | Deposit date: | 2022-08-29 | Release date: | 2022-12-14 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.59 Å) | Cite: | Two Distinct Modes of DNA Binding by an MCM Helicase Enable DNA Translocation. Int J Mol Sci, 23, 2022
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8A8Z
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![BU of 8a8z by Molmil](/molmil-images/mine/8a8z) | Crystal structure of Danio rerio HDAC6 CD2 in complex with in situ enzymatically hydrolyzed DFMO-based ITF5924 | Descriptor: | 4-[[4-[4-(imidazolidin-2-ylideneamino)phenyl]-1,2,3-triazol-1-yl]methyl]benzohydrazide, Histone deacetylase 6, POTASSIUM ION, ... | Authors: | Zrubek, K, Sandrone, G, Cukier, C.D, Stevenazzi, A. | Deposit date: | 2022-06-27 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Difluoromethyl-1,3,4-oxadiazoles are slow-binding substrate analog inhibitors of histone deacetylase 6 with unprecedented isotype selectivity. J.Biol.Chem., 299, 2022
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7UM0
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![BU of 7um0 by Molmil](/molmil-images/mine/7um0) | Structure of the phage AR9 non-virion RNA polymerase holoenzyme in complex with two DNA oligonucleotides containing the AR9 P077 promoter as determined by cryo-EM | Descriptor: | DNA (5'-D(P*GP*UP*U)-3'), DNA-directed RNA polymerase, DNA-directed RNA polymerase beta subunit, ... | Authors: | Leiman, P.G, Fraser, A, Sokolova, M.L. | Deposit date: | 2022-04-05 | Release date: | 2022-07-06 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis of template strand deoxyuridine promoter recognition by a viral RNA polymerase. Nat Commun, 13, 2022
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