8QX2
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7RBG
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![BU of 7rbg by Molmil](/molmil-images/mine/7rbg) | Human DNA polymerase beta crosslinked ternary complex 1 | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, CALCIUM ION, ... | Authors: | Reed, A.J, Kumar, A. | Deposit date: | 2021-07-06 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA, 119, 2022
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7JUF
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6Z72
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![BU of 6z72 by Molmil](/molmil-images/mine/6z72) | SARS-CoV-2 Macrodomain in complex with ADP-HPM | Descriptor: | 1,2-ETHANEDIOL, Adenosine Diphosphate (Hydroxymethyl)pyrrolidine monoalcohol, D-MALATE, ... | Authors: | Zorzini, V, Rack, J, Ahel, I. | Deposit date: | 2020-05-29 | Release date: | 2020-12-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Viral macrodomains: a structural and evolutionary assessment of the pharmacological potential. Open Biology, 10, 2020
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6HB1
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![BU of 6hb1 by Molmil](/molmil-images/mine/6hb1) | Structure of Hgh1, crystal form I | Descriptor: | CHLORIDE ION, Protein HGH1 | Authors: | Moenkemeyer, L, Klaips, C.L, Balchin, D, Koerner, R, Hartl, F.U, Bracher, A. | Deposit date: | 2018-08-09 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Chaperone Function of Hgh1 in the Biogenesis of Eukaryotic Elongation Factor 2. Mol.Cell, 74, 2019
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8B5K
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![BU of 8b5k by Molmil](/molmil-images/mine/8b5k) | Structure of haloalkane dehalogenase DmmarA from Mycobacterium marinum at pH 6.5 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, ... | Authors: | Snajdarova, K, Marek, M. | Deposit date: | 2022-09-23 | Release date: | 2023-08-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.849 Å) | Cite: | Atypical homodimerization revealed by the structure of the (S)-enantioselective haloalkane dehalogenase DmmarA from Mycobacterium marinum. Acta Crystallogr D Struct Biol, 79, 2023
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7RBK
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![BU of 7rbk by Molmil](/molmil-images/mine/7rbk) | Human DNA polymerase beta crosslinked complex, 40 s Ca to Mg exchange | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), ... | Authors: | Kumar, A. | Deposit date: | 2021-07-06 | Release date: | 2022-03-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA, 119, 2022
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5U11
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![BU of 5u11 by Molmil](/molmil-images/mine/5u11) | E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide | Descriptor: | 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide, Dihydropteroate synthase | Authors: | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | Deposit date: | 2016-11-27 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.994 Å) | Cite: | 8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase. Chemistry, 24, 2018
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6CAF
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6HBY
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![BU of 6hby by Molmil](/molmil-images/mine/6hby) | HLA class II peptide flanking residues tune the immunogenicity of a human tumor-derived epitope | Descriptor: | 1,2-ETHANEDIOL, ARRPPLAELAALNLSGSRL 5T4 tumour epitope, HLA class II histocompatibility antigen, ... | Authors: | MacLachlan, B, Rizkallah, P.J, Sewell, A.K, Cole, D.K, Godkin, A.J. | Deposit date: | 2018-08-13 | Release date: | 2019-08-14 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Human leukocyte antigen (HLA) class II peptide flanking residues tune the immunogenicity of a human tumor-derived epitope. J.Biol.Chem., 294, 2019
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8BMZ
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![BU of 8bmz by Molmil](/molmil-images/mine/8bmz) | Bacteroides thetaiotaomicron surface lipoprotein BT1954 bound to adenosylcobalamin | Descriptor: | Adenosylcobalamin, CHLORIDE ION, Putative surface layer protein, ... | Authors: | Abellon-Ruiz, J, Jana, K, Silale, A, Basle, A, Kleinekathofer, U, van den Berg, B. | Deposit date: | 2022-11-11 | Release date: | 2023-08-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B 12 uptake in gut Bacteroides. Nat Commun, 14, 2023
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7RHV
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![BU of 7rhv by Molmil](/molmil-images/mine/7rhv) | Aspergillus fumigatus Enolase | Descriptor: | Enolase, MAGNESIUM ION | Authors: | Nguyen, S, Bruning, J.B. | Deposit date: | 2021-07-19 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A structural model of the human plasminogen and Aspergillus fumigatus enolase complex. Proteins, 90, 2022
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6YVH
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![BU of 6yvh by Molmil](/molmil-images/mine/6yvh) | CWC22-CWC27-EIF4A3 Complex | Descriptor: | Eukaryotic initiation factor 4A-III, Pre-mRNA-splicing factor CWC22 homolog, Spliceosome-associated protein CWC27 homolog | Authors: | Basquin, J, Busetto, V, LeHir, H, Conti, E. | Deposit date: | 2020-04-28 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Structural and functional insights into CWC27/CWC22 heterodimer linking the exon junction complex to spliceosomes. Nucleic Acids Res., 48, 2020
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6HCI
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8B5O
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6Q4D
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![BU of 6q4d by Molmil](/molmil-images/mine/6q4d) | CDK2 in complex with FragLite31 | Descriptor: | 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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7RI0
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6Z86
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7JVL
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6HDX
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![BU of 6hdx by Molmil](/molmil-images/mine/6hdx) | Crystal structure of 2-Hydroxyisobutyryl-CoA Ligase (HCL) in the postadenylation state in complex with R3-HIB-AMP | Descriptor: | (2R)-3-HYDROXY-2-METHYLPROPANOIC ACID, 2-hydroxyisobutyryl-CoA synthetase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{R})-2-methyl-3-oxidanyl-propanoate | Authors: | Zahn, M, Rohwerder, T, Strater, N. | Deposit date: | 2018-08-20 | Release date: | 2019-08-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of 2-Hydroxyisobutyric Acid-CoA Ligase Reveal Determinants of Substrate Specificity and Describe a Multi-Conformational Catalytic Cycle. J.Mol.Biol., 431, 2019
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5U3Q
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![BU of 5u3q by Molmil](/molmil-images/mine/5u3q) | Human PPARdelta ligand-binding domain in complexed with specific agonist 1 | Descriptor: | 6-(2-{[([1,1'-biphenyl]-4-carbonyl)(propan-2-yl)amino]methyl}phenoxy)hexanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P. | Deposit date: | 2016-12-03 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7RGF
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![BU of 7rgf by Molmil](/molmil-images/mine/7rgf) | Protocadherin gammaC4 EC1-4 crystal structure disrupted trans interface | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Goodman, K.M, Mannepalli, S, Honig, B, Shapiro, L. | Deposit date: | 2021-07-15 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | How clustered protocadherin binding specificity is tuned for neuronal self-/nonself-recognition. Elife, 11, 2022
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6H77
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![BU of 6h77 by Molmil](/molmil-images/mine/6h77) | E1 enzyme for ubiquitin like protein activation in complex with UBL | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Soudah, N, Padala, P, Hassouna, F, Mashahreh, B, Lebedev, A.A, Isupov, M.N, Cohen-Kfir, E, Wiener, R. | Deposit date: | 2018-07-30 | Release date: | 2018-10-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An N-Terminal Extension to UBA5 Adenylation Domain Boosts UFM1 Activation: Isoform-Specific Differences in Ubiquitin-like Protein Activation. J.Mol.Biol., 431, 2019
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8QQ1
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![BU of 8qq1 by Molmil](/molmil-images/mine/8qq1) | SpNOX dehydrogenase domain, mutant F397W in complex with Flavin adenine dinucleotide (FAD) | Descriptor: | BROMIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Oxidoreductase | Authors: | Humm, A.S, Dupeux, F, Vermot, A, Petit-Harleim, I, Fieschi, F, Marquez, J.A. | Deposit date: | 2023-10-03 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.941 Å) | Cite: | X-ray structure and enzymatic study of a bacterial NADPH oxidase highlight the activation mechanism of eukaryotic NOX. Elife, 13, 2024
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8QYG
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![BU of 8qyg by Molmil](/molmil-images/mine/8qyg) | Crystal structure of Nitroreductase from Bacillus tequilensis | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | Authors: | Rozeboom, H.J, Russo, S, Fraaije, M.W, Poelarends, G.J. | Deposit date: | 2023-10-26 | Release date: | 2024-05-08 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Biochemical, kinetic, and structural characterization of a Bacillus tequilensis nitroreductase. Febs J., 2024
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