8BPN
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![BU of 8bpn by Molmil](/molmil-images/mine/8bpn) | The structure of thiocyanate dehydrogenase mutant form with Phe 436 replaced by Gln from Thioalkalivibrio paradoxus | Descriptor: | COPPER (II) ION, DI(HYDROXYETHYL)ETHER, Twin-arginine translocation signal domain-containing protein | Authors: | Varfolomeeva, L.A, Solovieva, A.Y, Shipkov, N.S, Kulikova, O.G, Dergousova, N.I, Rakitina, T.V, Boyko, K.M, Tikhonova, T.V, Popov, V.O. | Deposit date: | 2023-01-09 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Probing the Role of a Conserved Phenylalanine in the Active Site of Thiocyanate Dehydrogenase Crystals, 12, 2022
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5Y63
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![BU of 5y63 by Molmil](/molmil-images/mine/5y63) | Crystal structure of Enterococcus faecalis AhpC | Descriptor: | Alkyl hydroperoxide reductase, C subunit | Authors: | Pan, A, Balakrishna, A.M, Grueber, G. | Deposit date: | 2017-08-10 | Release date: | 2017-12-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Atomic structure and enzymatic insights into the vancomycin-resistant Enterococcus faecalis (V583) alkylhydroperoxide reductase subunit C Free Radic. Biol. Med., 115, 2017
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8VEL
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![BU of 8vel by Molmil](/molmil-images/mine/8vel) | IsPETase - ACCCC mutant | Descriptor: | Poly(ethylene terephthalate) hydrolase, SULFATE ION | Authors: | Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C. | Deposit date: | 2023-12-19 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.624 Å) | Cite: | Enhancing PET Degrading Enzymes: A Combinatory Approach. Chembiochem, 25, 2024
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6FD3
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![BU of 6fd3 by Molmil](/molmil-images/mine/6fd3) | Thiophosphorylated PAK3 kinase domain | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Sorrell, F.J, Wang, D, von Delft, F, Bountra, C, Edwards, A.M, Elkins, J.M. | Deposit date: | 2017-12-21 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Solution structures and biophysical analysis of full-length group A PAKs reveal they are monomeric and auto-inhibited incis. Biochem.J., 476, 2019
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6HAL
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![BU of 6hal by Molmil](/molmil-images/mine/6hal) | Human carbonmonoxy hemoglobin SFX dataset | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Doak, B, Gorel, A, Foucar, L, Barends, T.R.M, Gruenbein, M.L, Hilpert, M, Kloos, M, Nass Kovacs, G, Roome, C.M, Shoeman, R.L, Stricker, M, Tono, K, You, D, Ueda, K, Sherrell, D.A, Owen, R.L, Schlichting, I. | Deposit date: | 2018-08-07 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystallography on a chip - without the chip: sheet-on-sheet sandwich. Acta Crystallogr D Struct Biol, 74, 2018
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8JXB
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![BU of 8jxb by Molmil](/molmil-images/mine/8jxb) | Cryo-EM structure of rat megalin wingAc | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Goto, S, Tsutsumi, A, Lee, Y, Hosojima, M, Kabasawa, H, Komochi, K, Yun-san, L, Nagatoshi, S, Tsumoto, K, Nishizawa, T, Kikkawa, M, Saito, A. | Deposit date: | 2023-06-30 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM structures elucidate the multiligand receptor nature of megalin. Proc.Natl.Acad.Sci.USA, 121, 2024
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6SGT
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![BU of 6sgt by Molmil](/molmil-images/mine/6sgt) | Cryo-EM structure of Escherichia coli AcrB and DARPin in Saposin A-nanodisc with cardiolipin | Descriptor: | DARPin, Multidrug efflux pump subunit AcrB | Authors: | Szewczak-Harris, A, Du, D, Newman, C, Neuberger, A, Luisi, B.F. | Deposit date: | 2019-08-05 | Release date: | 2020-05-13 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Interactions of a Bacterial RND Transporter with a Transmembrane Small Protein in a Lipid Environment. Structure, 28, 2020
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5Y8P
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![BU of 5y8p by Molmil](/molmil-images/mine/5y8p) | Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + 3-Hydroxy propionate (3-HP) | Descriptor: | (2~{S})-2-methylpentanedioic acid, 3-HYDROXY-PROPANOIC ACID, ACRYLIC ACID, ... | Authors: | Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M. | Deposit date: | 2017-08-21 | Release date: | 2018-07-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase. Biochem. J., 475, 2018
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6SEW
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![BU of 6sew by Molmil](/molmil-images/mine/6sew) | X-ray structure of the gold/lysozyme adduct formed upon 24h exposure of protein crystals to compound 2 | Descriptor: | 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ... | Authors: | Ferraro, G, Giorgio, A, Merlino, A. | Deposit date: | 2019-07-30 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Protein-mediated disproportionation of Au(i): insights from the structures of adducts of Au(iii) compounds bearing N,N-pyridylbenzimidazole derivatives with lysozyme. Dalton Trans, 48, 2019
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6SI3
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![BU of 6si3 by Molmil](/molmil-images/mine/6si3) | p53 cancer mutant Y220S in complex with small-molecule stabilizer PK9301 | Descriptor: | 1,2-ETHANEDIOL, 1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{N}-methyl-methanamine, Cellular tumor antigen p53, ... | Authors: | Joerger, A.C, Bauer, M.R, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-08 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm. Acs Chem.Biol., 15, 2020
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4ROM
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![BU of 4rom by Molmil](/molmil-images/mine/4rom) | Deoxyhemoglobin in complex with imidazolylacryloyl derivatives | Descriptor: | 4-{2-chloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Omar, A.M, Mahran, M.A, Ghatge, M.N, Chowdhury, N, Bamane, F.H.A, El-Araby, M.E, Abdulmalik, O, Safo, M.K. | Deposit date: | 2014-10-28 | Release date: | 2015-05-20 | Last modified: | 2015-06-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of a novel class of covalent modifiers of hemoglobin as potential antisickling agents. Org.Biomol.Chem., 13, 2015
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8R18
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![BU of 8r18 by Molmil](/molmil-images/mine/8r18) | Pim1 in complex with (E)-4-(4-hydroxystyryl)benzoic acid and Pimtide | Descriptor: | (E)-4-(4-hydroxystyryl)benzoic acid, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Hochban, P.M.M, Heine, A, Diederich, W.E. | Deposit date: | 2023-11-01 | Release date: | 2024-03-20 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | What doesn't fit is made to fit: Pim-1 kinase adapts to the configuration of stilbene-based inhibitors. Arch Pharm, 357, 2024
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8BOZ
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4YU7
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![BU of 4yu7 by Molmil](/molmil-images/mine/4yu7) | Crystal structure of Piratoxin I (PrTX-I) complexed to caffeic acid | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Basic phospholipase A2 homolog piratoxin-1, CAFFEIC ACID, ... | Authors: | Fernandes, C.A.H, Fontes, M.R.M. | Deposit date: | 2015-03-18 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.647 Å) | Cite: | Structural Basis for the Inhibition of a Phospholipase A2-Like Toxin by Caffeic and Aristolochic Acids. Plos One, 10, 2015
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7L5D
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![BU of 7l5d by Molmil](/molmil-images/mine/7l5d) | The crystal structure of SARS-CoV-2 Main Protease in complex with demethylated analog of masitinib | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Tan, K, Maltseva, N.I, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-12-21 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2. Science, 373, 2021
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5HJ3
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![BU of 5hj3 by Molmil](/molmil-images/mine/5hj3) | Crystal structure of host-primed Ebola virus GP, GPcl. | Descriptor: | Envelope glycoprotein, KZ52 Antibody Fragment, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Bornholdt, Z.A, Fusco, M.L, Saphire, E.O. | Deposit date: | 2016-01-12 | Release date: | 2016-03-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Host-Primed Ebola Virus GP Exposes a Hydrophobic NPC1 Receptor-Binding Pocket, Revealing a Target for Broadly Neutralizing Antibodies. Mbio, 7, 2016
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6FJ6
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7NEX
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![BU of 7nex by Molmil](/molmil-images/mine/7nex) | Crystal structure of alpha Carbonic anhydrase from Schistosoma mansoni bound to 1-(4-fluorophenyl)-3-(4-sulfamoylph enyl)thiourea | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide, ... | Authors: | Ferraroni, M, Angeli, A, Supuran, C.T. | Deposit date: | 2021-02-05 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides. J.Med.Chem., 64, 2021
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5Y1H
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![BU of 5y1h by Molmil](/molmil-images/mine/5y1h) | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(2,4-difluorobenzyl)ureido)-N-hydroxy-4-methylpentanamide | Descriptor: | (2R)-2-[[2,4-bis(fluoranyl)phenyl]methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide, GLYCEROL, M1 family aminopeptidase, ... | Authors: | Marapaka, A.K, Zhang, Y, Addlagatta, A. | Deposit date: | 2017-07-20 | Release date: | 2018-08-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(2,4-difluorobenzyl)ureido)-N-hydroxy-4-methylpentanamide To Be Published
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8BRO
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![BU of 8bro by Molmil](/molmil-images/mine/8bro) | Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with a synthetic beta-fucosylamide | Descriptor: | 5-[3-(aminomethyl)phenyl]-~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]furan-2-carboxamide, Lectin | Authors: | Varrot, A, Lunstrom, J. | Deposit date: | 2022-11-23 | Release date: | 2023-02-08 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification of New L-Fucosyl and L-Galactosyl Amides as Glycomimetic Ligands of TNF Lectin Domain of BC2L-C from Burkholderia cenocepacia. Molecules, 28, 2023
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8QUD
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![BU of 8qud by Molmil](/molmil-images/mine/8qud) | Cryo-EM Structure of Human Kv3.1 in Complex with Modulator AUT5 | Descriptor: | (5R)-5-ethyl-3-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)imidazolidine-2,4-dione, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Chi, G, Mckinley, G, Marsden, B, Pike, A.C.W, Ye, M, Brooke, L.M, Bakshi, S, Lakshminarayana, B, Pilati, N, Marasco, A, Gunthorpe, M, Alvaro, G.S, Large, C.H, Williams, E, Sauer, D.B. | Deposit date: | 2023-10-16 | Release date: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | The binding and mechanism of a positive allosteric modulator of Kv3 channels. Nat Commun, 15, 2024
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6IEM
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![BU of 6iem by Molmil](/molmil-images/mine/6iem) | Argininosuccinate lyase from Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15-PENTAOXAHEPTADECANE, Argininosuccinate lyase, ... | Authors: | Paul, A, Mishra, A, Surolia, A, Vijayan, M. | Deposit date: | 2018-09-14 | Release date: | 2019-02-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural studies on M. tuberculosis argininosuccinate lyase and its liganded complex: Insights into catalytic mechanism. IUBMB Life, 71, 2019
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4RU0
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![BU of 4ru0 by Molmil](/molmil-images/mine/4ru0) | The crystal structure of abc transporter permease from pseudomonas fluorescens group | Descriptor: | 3,6,9,12,15-PENTAOXAHEPTADECANE, GLYCEROL, Putative branched-chain amino acid ABC transporter, ... | Authors: | Wu, R, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-11-17 | Release date: | 2014-11-26 | Method: | X-RAY DIFFRACTION (2.442 Å) | Cite: | The crystal structure of abc transporter permease from pseudomonas fluorescens group To be Published
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6WJF
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![BU of 6wjf by Molmil](/molmil-images/mine/6wjf) | PKA RIIbeta holoenzyme with DnaJB1-PKAc fusion in fibrolamellar hepatoceullar carcinoma | Descriptor: | DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha fusion, cAMP-dependent protein kinase type II-beta regulatory subunit | Authors: | Lu, T.-W, Aoto, P.C, Weng, J.-H, Nielsen, C, Cash, J.N, Hall, J, Zhang, P, Simon, S.M, Cianfrocco, M.A, Taylor, S.S. | Deposit date: | 2020-04-13 | Release date: | 2020-12-02 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (7.5 Å) | Cite: | Structural analyses of the PKA RII beta holoenzyme containing the oncogenic DnaJB1-PKAc fusion protein reveal protomer asymmetry and fusion-induced allosteric perturbations in fibrolamellar hepatocellular carcinoma. Plos Biol., 18, 2020
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6FID
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![BU of 6fid by Molmil](/molmil-images/mine/6fid) | Bovine trypsin solved by S-SAD on ID30B | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | McCarthy, A.A, Mueller-Dieckmann, C. | Deposit date: | 2018-01-18 | Release date: | 2018-02-07 | Last modified: | 2018-08-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF. J Synchrotron Radiat, 25, 2018
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