6SGP
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![BU of 6sgp by Molmil](/molmil-images/mine/6sgp) | X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a sulfamide inhibitor GluGlu | Descriptor: | (2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Barinka, C, Shukla, S, Motlova, L. | Deposit date: | 2019-08-05 | Release date: | 2020-08-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural, Biochemical, and Computational Characterization of Sulfamides as Bimetallic Peptidase Inhibitors. J.Chem.Inf.Model., 2024
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8B2B
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![BU of 8b2b by Molmil](/molmil-images/mine/8b2b) | Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative | Descriptor: | (4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid, 3-dehydroquinate dehydratase, SODIUM ION | Authors: | Otero, J.M, Rodriguez, A, Maneiro, M, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2022-09-13 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme-A molecular insight. Front Mol Biosci, 10, 2023
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6HJX
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![BU of 6hjx by Molmil](/molmil-images/mine/6hjx) | X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) 7'C pore mutant (L238C) in complex with nanobody 72 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cys-loop ligand-gated ion channel, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Spurny, R, Govaerts, C, Evans, G.L, Pardon, E, Steyaert, J, Ulens, C. | Deposit date: | 2018-09-04 | Release date: | 2019-10-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A lipid site shapes the agonist response of a pentameric ligand-gated ion channel. Nat.Chem.Biol., 15, 2019
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5GZG
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![BU of 5gzg by Molmil](/molmil-images/mine/5gzg) | Galectin-8 N-terminal domain carbohydrate recognition domain | Descriptor: | Galectin-8, NICKEL (II) ION, SODIUM ION, ... | Authors: | Su, J.Y, Si, Y.L. | Deposit date: | 2016-09-28 | Release date: | 2016-12-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Crystallization of Galectin-8 Linker Reveals Intricate Relationship between the N-terminal Tail and the Linker. Int J Mol Sci, 17, 2016
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8AWI
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![BU of 8awi by Molmil](/molmil-images/mine/8awi) | Crystal structure of Human Transthyretin at 1.15 Angstrom resolution | Descriptor: | SODIUM ION, Transthyretin | Authors: | Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A. | Deposit date: | 2022-08-29 | Release date: | 2023-03-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands. Acs Chem Neurosci, 14, 2023
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6HN0
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![BU of 6hn0 by Molmil](/molmil-images/mine/6hn0) | Complex of Ovine Serum Albumin with diclofenac | Descriptor: | (2S)-2-hydroxybutanedioic acid, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ACETATE ION, ... | Authors: | Talaj, J.A, Bujacz, A, Bujacz, G. | Deposit date: | 2018-09-13 | Release date: | 2019-10-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural Investigation of Diclofenac Binding to Ovine, Caprine, and Leporine Serum Albumins. Int J Mol Sci, 24, 2023
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6T19
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![BU of 6t19 by Molmil](/molmil-images/mine/6t19) | Structure of mosquitocidal Cyt1A protoxin obtained by Serial Femtosecond Crystallography on in vivo grown crystals soaked with DTT at pH 7 | Descriptor: | SODIUM ION, Type-1Aa cytolytic delta-endotoxin | Authors: | Tetreau, G, Banneville, A.S, Andreeva, E, Brewster, A.S, Hunter, M.S, Sierra, R.G, Young, I.D, Boutet, S, Coquelle, N, Cascio, D, Sawaya, M.R, Sauter, N.K, Colletier, J.P. | Deposit date: | 2019-10-03 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Serial femtosecond crystallography on in vivo-grown crystals drives elucidation of mosquitocidal Cyt1Aa bioactivation cascade. Nat Commun, 11, 2020
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5D61
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![BU of 5d61 by Molmil](/molmil-images/mine/5d61) | MOA-Z-VAD-fmk complex, direct orientation | Descriptor: | 1,2-ETHANEDIOL, Agglutinin, CALCIUM ION, ... | Authors: | Cordara, G, van Eerde, A, Grahn, E.M, Goldstein, I.J, Krengel, U. | Deposit date: | 2015-08-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | An Unusual Member of the Papain Superfamily: Mapping the Catalytic Cleft of the Marasmius oreades agglutinin (MOA) with a Caspase Inhibitor. Plos One, 11, 2016
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6HDL
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![BU of 6hdl by Molmil](/molmil-images/mine/6hdl) | R49K variant of beta-phosphoglucomutase from Lactococcus lactis complexed with magnesium trifluoride and beta-G6P to 1.2 A. | Descriptor: | 1,2-ETHANEDIOL, 6-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, ... | Authors: | Wood, H.P, Robertson, A.J, Bisson, C, Waltho, J.P. | Deposit date: | 2018-08-17 | Release date: | 2020-08-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase. To Be Published
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5GLN
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![BU of 5gln by Molmil](/molmil-images/mine/5gln) | Crystal structure of CoXyl43, GH43 beta-xylosidase/alpha-arabinofuranosidase from a compostmicrobial metagenome in complex with xylotriose, calcium-bound form | Descriptor: | ACETATE ION, CALCIUM ION, Glycoside hydrolase family 43, ... | Authors: | Matsuzawa, T, Kishine, N, Fujimoto, Z, Yaoi, K. | Deposit date: | 2016-07-12 | Release date: | 2017-03-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of metagenomic beta-xylosidase/ alpha-l-arabinofuranosidase activated by calcium. J. Biochem., 162, 2017
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7ZHE
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![BU of 7zhe by Molmil](/molmil-images/mine/7zhe) | Crystal structure of CtaZ from Ruminiclostridium cellulolyticum | Descriptor: | GLYCEROL, SODIUM ION, Transcription activator effector binding | Authors: | Gude, F, Molloy, E.M, Horch, T, Dell, M, Dunbar, K.L, Krabbe, J, Groll, M, Hertweck, C. | Deposit date: | 2022-04-06 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Specialized Polythioamide-Binding Protein Confers Antibiotic Self-Resistance in Anaerobic Bacteria. Angew.Chem.Int.Ed.Engl., 61, 2022
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5AFY
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![BU of 5afy by Molmil](/molmil-images/mine/5afy) | Thrombin in complex with 3-chloro-benzamide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-CHLORO-BENZAMIDE, DIMETHYL SULFOXIDE, ... | Authors: | Ruehmann, E, Heine, A, Klebe, G. | Deposit date: | 2015-01-27 | Release date: | 2015-08-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Fragments Can Bind Either More Enthalpy or Entropy-Driven: Crystal Structures and Residual Hydration Pattern Suggest Why. J.Med.Chem., 58, 2015
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7ZTB
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7ZHM
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![BU of 7zhm by Molmil](/molmil-images/mine/7zhm) | Salmonella enterica Rhs1 C-terminal toxin TreTu complex with TriTu immunity protein | Descriptor: | Immunity protein TriTu, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Rhs1 protein, ... | Authors: | Jurenas, D, Rey, M, Chamot-Rooke, J, Terradot, L, Cascales, E. | Deposit date: | 2022-04-06 | Release date: | 2022-11-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Salmonella antibacterial Rhs polymorphic toxin inhibits translation through ADP-ribosylation of EF-Tu P-loop. Nucleic Acids Res., 50, 2022
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5T4B
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![BU of 5t4b by Molmil](/molmil-images/mine/5t4b) | Human DPP4 in complex with a ligand 34a | Descriptor: | 2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-5-[(4-methylquinazolin-2-yl)methyl]-3H-imidazo[2,1-b]purin-4(5H)-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scapin, G. | Deposit date: | 2016-08-29 | Release date: | 2016-10-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Scaffold-hopping from xanthines to tricyclic guanines: A case study of dipeptidyl peptidase 4 (DPP4) inhibitors. Bioorg.Med.Chem., 24, 2016
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5AFB
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![BU of 5afb by Molmil](/molmil-images/mine/5afb) | Crystal structure of the Latrophilin3 Lectin and Olfactomedin Domains | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | Authors: | Jackson, V.A, del Toro, D, Carrasquero, M, Roversi, P, Harlos, K, Klein, R, Seiradake, E. | Deposit date: | 2015-01-21 | Release date: | 2015-03-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structural Basis of Latrophilin-Flrt Interaction. Structure, 23, 2015
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8A47
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![BU of 8a47 by Molmil](/molmil-images/mine/8a47) | IdeS in complex with IgG1 Fc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]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, IgG-degrading protease, ... | Authors: | Sudol, A.S.L, Tews, I, Crispin, M. | Deposit date: | 2022-06-10 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.338 Å) | Cite: | Extensive substrate recognition by the streptococcal antibody-degrading enzymes IdeS and EndoS. Nat Commun, 13, 2022
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7ZKO
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![BU of 7zko by Molmil](/molmil-images/mine/7zko) | X-ray structure of the complex between human alpha thrombin and a pseudo-cyclic thrombin binding aptamer (TBA-NNp/DDp) - Crystal form delta | Descriptor: | 3-[13-methyl-5,7,12,14-tetrakis(oxidanylidene)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl 3-[5,7,12,14-tetrakis(oxidanylidene)-13-(3-oxidanylpropyl)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1,3,8(16),9,11(15)-pentaen-6-yl]propyl hydrogen phosphate, 3-[5-[3-bis(oxidanyl)phosphanyloxypropoxy]naphthalen-1-yl]oxypropyl 3-(5-oxidanylnaphthalen-1-yl)oxypropyl hydrogen phosphate, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | Authors: | Troisi, R, Sica, F. | Deposit date: | 2022-04-13 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A terminal functionalization strategy reveals unusual binding abilities of anti-thrombin anticoagulant aptamers. Mol Ther Nucleic Acids, 30, 2022
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7ZOA
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![BU of 7zoa by Molmil](/molmil-images/mine/7zoa) | cryo-EM structure of CGT ABC transporter in presence of CBG substrate | Descriptor: | Beta-(1-->2)glucan export ATP-binding/permease protein NdvA, Cyclooctadecakis-(1-2)-(beta-D-glucopyranose) | Authors: | Jaroslaw, S, Dong, C.N, Frank, L, Na, W, Renato, Z, Seunho, J, Henning, S, Christoph, D. | Deposit date: | 2022-04-24 | Release date: | 2022-12-07 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Mechanism of cyclic beta-glucan export by ABC transporter Cgt of Brucella. Nat.Struct.Mol.Biol., 29, 2022
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7ZKM
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![BU of 7zkm by Molmil](/molmil-images/mine/7zkm) | X-ray structure of the complex between human alpha thrombin and a pseudo-cyclic thrombin binding aptamer (TBA-NNp/DDp) - Crystal form beta | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[13-methyl-5,7,12,14-tetrakis(oxidanylidene)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl 3-[5,7,12,14-tetrakis(oxidanylidene)-13-(3-oxidanylpropyl)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1,3,8(16),9,11(15)-pentaen-6-yl]propyl hydrogen phosphate, 3-[5-[3-bis(oxidanyl)phosphanyloxypropoxy]naphthalen-1-yl]oxypropyl 3-(5-oxidanylnaphthalen-1-yl)oxypropyl hydrogen phosphate, ... | Authors: | Troisi, R, Sica, F. | Deposit date: | 2022-04-13 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A terminal functionalization strategy reveals unusual binding abilities of anti-thrombin anticoagulant aptamers. Mol Ther Nucleic Acids, 30, 2022
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7ZKL
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![BU of 7zkl by Molmil](/molmil-images/mine/7zkl) | X-ray structure of the complex between human alpha thrombin and a pseudo-cyclic thrombin binding aptamer (TBA-NNp/DDp) - Crystal form alpha | Descriptor: | (2S)-2-hydroxybutanedioic acid, 3-[13-methyl-5,7,12,14-tetrakis(oxidanylidene)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl 3-[5,7,12,14-tetrakis(oxidanylidene)-13-(3-oxidanylpropyl)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1,3,8(16),9,11(15)-pentaen-6-yl]propyl hydrogen phosphate, 3-[5-[3-bis(oxidanyl)phosphanyloxypropoxy]naphthalen-1-yl]oxypropyl 3-(5-oxidanylnaphthalen-1-yl)oxypropyl hydrogen phosphate, ... | Authors: | Troisi, R, Sica, F. | Deposit date: | 2022-04-13 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | A terminal functionalization strategy reveals unusual binding abilities of anti-thrombin anticoagulant aptamers. Mol Ther Nucleic Acids, 30, 2022
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7ZCZ
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![BU of 7zcz by Molmil](/molmil-images/mine/7zcz) | |
6SYR
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![BU of 6syr by Molmil](/molmil-images/mine/6syr) | The wild type glucuronoyl esterase OtCE15A from Opitutus terrae in complex with D-glucuronate | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, SODIUM ION, ... | Authors: | Mazurkewich, S, Navarro Poulsen, J.C, Larsbrink, J, Lo Leggio, L. | Deposit date: | 2019-10-01 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural and biochemical studies of the glucuronoyl esteraseOtCE15A illuminate its interaction with lignocellulosic components. J.Biol.Chem., 294, 2019
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7ZB1
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![BU of 7zb1 by Molmil](/molmil-images/mine/7zb1) | S580A with 18mer | Descriptor: | 1,2-ETHANEDIOL, 18mer, BICARBONATE ION, ... | Authors: | Song, H, Naismith, J.H. | Deposit date: | 2022-03-23 | Release date: | 2022-07-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides Biorxiv, 2022
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7ZB0
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![BU of 7zb0 by Molmil](/molmil-images/mine/7zb0) | macrocyclase OphP with 15mer | Descriptor: | 1,2-ETHANEDIOL, 15mer, BICARBONATE ION, ... | Authors: | Song, H, Naismith, J.H. | Deposit date: | 2022-03-23 | Release date: | 2022-07-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides Biorxiv, 2022
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