5O9T
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![BU of 5o9t by Molmil](/molmil-images/mine/5o9t) | HsNMT1 in complex with CoA and acetylated-NCFSKPK peptide | Descriptor: | 1IP-CYS-PHE-SER-LYS-PRO-ARG, CHLORIDE ION, GLYCEROL, ... | Authors: | Dian, C, Meinnel, T, Giglione, C. | Deposit date: | 2017-06-20 | Release date: | 2018-06-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and genomic decoding of human and plant myristoylomes reveals a definitive recognition pattern. Nat. Chem. Biol., 14, 2018
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5OGR
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![BU of 5ogr by Molmil](/molmil-images/mine/5ogr) | Structure of cathepsin B1 from Schistosoma mansoni in complex with WRR286 inhibitor | Descriptor: | 3-[[N-[4-METHYL-PIPERAZINYL]CARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID BENZYLOXY-AMIDE, ACETATE ION, Cathepsin B-like peptidase (C01 family) | Authors: | Jilkova, A, Rezacova, P, Brynda, J, Mares, M. | Deposit date: | 2017-07-13 | Release date: | 2018-11-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Druggable Hot Spots in the Schistosomiasis Cathepsin B1 Target Identified by Functional and Binding Mode Analysis of Potent Vinyl Sulfone Inhibitors. Acs Infect Dis., 2020
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5O9U
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![BU of 5o9u by Molmil](/molmil-images/mine/5o9u) | HsNMT1 in complex with CoA and Myristoylated-GCSVSKKK octapeptide | Descriptor: | COENZYME A, Calcineurin B-like protein 4, GLYCEROL, ... | Authors: | Dian, C, Meinnel, T, Giglione, C. | Deposit date: | 2017-06-20 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and genomic decoding of human and plant myristoylomes reveals a definitive recognition pattern. Nat. Chem. Biol., 14, 2018
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5OCA
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![BU of 5oca by Molmil](/molmil-images/mine/5oca) | PCSK9:Fab Complex with Dextran Sulfate | Descriptor: | 2,3,4-tri-O-sulfo-beta-D-altropyranose-(1-6)-2,3-di-O-sulfo-alpha-L-glucopyranose, Fab from LDLR competitive antibody: Heavy chain, Fab from LDLR competitive antibody: Light chain, ... | Authors: | Thirup, S.S, Vilstrup, J.P. | Deposit date: | 2017-06-30 | Release date: | 2017-09-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Heparan sulfate proteoglycans present PCSK9 to the LDL receptor. Nat Commun, 8, 2017
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6SOZ
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![BU of 6soz by Molmil](/molmil-images/mine/6soz) | Glycosylated Trypanosoma brucei transferrin receptor in complex with human transferrin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ESAG6, ... | Authors: | Trevor, C, Carrington, M, Higgins, M.K. | Deposit date: | 2019-08-30 | Release date: | 2019-11-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.42 Å) | Cite: | Structure of the trypanosome transferrin receptor reveals mechanisms of ligand recognition and immune evasion. Nat Microbiol, 4, 2019
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5OGQ
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![BU of 5ogq by Molmil](/molmil-images/mine/5ogq) | Structure of cathepsin B1 from Schistosoma mansoni in complex with WRR391 inhibitor | Descriptor: | ACETATE ION, Cathepsin B-like peptidase (C01 family), ethyl 1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(3~{S})-1-phenyl-5-pyridin-2-ylsulfonyl-pentan-3-yl]amino]propan-2-yl]carbamoyl]piperidine-4-carboxylate | Authors: | Jilkova, A, Rezacova, P, Brynda, J, Mares, M. | Deposit date: | 2017-07-13 | Release date: | 2018-11-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Druggable Hot Spots in the Schistosomiasis Cathepsin B1 Target Identified by Functional and Binding Mode Analysis of Potent Vinyl Sulfone Inhibitors. Acs Infect Dis., 2020
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7OPN
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![BU of 7opn by Molmil](/molmil-images/mine/7opn) | Human Aldehyde Oxidase SNP R1231H in complex with Raloxifene | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Aldehyde oxidase, DIMETHYL SULFOXIDE, ... | Authors: | Mota, C, Coelho, C, Santos Silva, T, Romao, M.J. | Deposit date: | 2021-06-01 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Interrogating the Inhibition Mechanisms of Human Aldehyde Oxidase by X-ray Crystallography and NMR Spectroscopy: The Raloxifene Case. J.Med.Chem., 64, 2021
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5PTP
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8JWD
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![BU of 8jwd by Molmil](/molmil-images/mine/8jwd) | Histidine kinase QseE sensor domain of Escherichia coli O157:H7 | Descriptor: | 1,2-ETHANEDIOL, histidine kinase | Authors: | Matsumoto, K, Fukuda, Y, Inoue, T. | Deposit date: | 2023-06-28 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Crystal structures of QseE and QseG: elements of a three-component system from Escherichia coli. Acta Crystallogr.,Sect.F, 79, 2023
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7O85
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![BU of 7o85 by Molmil](/molmil-images/mine/7o85) | Anthrax toxin prepore in complex with the neutralizing Fab cAb29 | Descriptor: | CALCIUM ION, Fab, Protective antigen PA-63 | Authors: | Hoelzgen, F, Zalk, R, Alcalay, R, Cohen-Schwartz, S, Garau, G, Shahar, A, Mazor, O, Frank, G.A. | Deposit date: | 2021-04-14 | Release date: | 2021-04-28 | Last modified: | 2021-09-29 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Neutralization of the anthrax toxin by antibody-mediated stapling of its membrane-penetrating loop. Acta Crystallogr D Struct Biol, 77, 2021
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5ON4
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![BU of 5on4 by Molmil](/molmil-images/mine/5on4) | Crystal structure of NikA in complex with Fe-L1 (N-(2-hydroxybenzyl)-N'-(2-thiomethylbenzyl)-N,N'-ethylenediamine diacetic acid) | Descriptor: | 2-[2-[[2,3-bis(oxidanyl)phenyl]methyl-(2-hydroxy-2-oxoethyl)amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid, FE (III) ION, GLYCEROL, ... | Authors: | Cavazza, C, Menage, S. | Deposit date: | 2017-08-02 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cross-Linked Artificial Enzyme Crystals as Heterogeneous Catalysts for Oxidation Reactions. J. Am. Chem. Soc., 139, 2017
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6ZXJ
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![BU of 6zxj by Molmil](/molmil-images/mine/6zxj) | Fully-loaded anthrax lethal toxin in its heptameric pre-pore state, in which the third lethal factor is masked out (PA7LF3-masked) | Descriptor: | Lethal factor, Protective antigen | Authors: | Quentin, D, Antoni, C, Gatsogiannis, C, Raunser, S. | Deposit date: | 2020-07-29 | Release date: | 2020-09-02 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structure of the fully-loaded asymmetric anthrax lethal toxin in its heptameric pre-pore state. Plos Pathog., 16, 2020
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5ON5
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![BU of 5on5 by Molmil](/molmil-images/mine/5on5) | |
5ON8
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8OGI
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![BU of 8ogi by Molmil](/molmil-images/mine/8ogi) | Structure of native human eosinophil peroxidase | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pfanzagl, V, Obinger, C. | Deposit date: | 2023-03-20 | Release date: | 2024-01-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.547 Å) | Cite: | Posttranslational modification and heme cavity architecture of human eosinophil peroxidase-insights from first crystal structure and biochemical characterization. J.Biol.Chem., 299, 2023
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6R6U
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![BU of 6r6u by Molmil](/molmil-images/mine/6r6u) | Crystal structure of human cis-aconitate decarboxylase | Descriptor: | (R,R)-2,3-BUTANEDIOL, Cis-aconitate decarboxylase, SODIUM ION | Authors: | Lukat, P, Chen, F, Saile, K, Buessow, K, Pessler, F, Blankenfeldt, W. | Deposit date: | 2019-03-28 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.705 Å) | Cite: | Crystal structure ofcis-aconitate decarboxylase reveals the impact of naturally occurring human mutations on itaconate synthesis. Proc.Natl.Acad.Sci.USA, 116, 2019
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5OCJ
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![BU of 5ocj by Molmil](/molmil-images/mine/5ocj) | Crystal structure of Ag85C bound to cyclophostin 8beta inhibitor | Descriptor: | DIMETHYL SULFOXIDE, Diacylglycerol acyltransferase/mycolyltransferase Ag85C, methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid | Authors: | Viljoen, A, Richard, M, Nguyen, P.C, Spilling, C.D, Canaan, S, Cavalier, J.F, Blaise, M, Kremer, L. | Deposit date: | 2017-07-03 | Release date: | 2018-01-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cyclipostins and cyclophostin analogs inhibit the antigen 85C from J. Biol. Chem., 293, 2018
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6ZXL
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![BU of 6zxl by Molmil](/molmil-images/mine/6zxl) | Fully-loaded anthrax lethal toxin in its heptameric pre-pore state and PA7LF(2+1A) arrangement | Descriptor: | Lethal factor, Protective antigen | Authors: | Quentin, D, Antoni, C, Gatsogiannis, C, Raunser, S. | Deposit date: | 2020-07-29 | Release date: | 2020-09-02 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM structure of the fully-loaded asymmetric anthrax lethal toxin in its heptameric pre-pore state. Plos Pathog., 16, 2020
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6TGG
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![BU of 6tgg by Molmil](/molmil-images/mine/6tgg) | scFv-1SM3 in complex with glycopeptide containing an sp2-imino sugar | Descriptor: | 1,2-ETHANEDIOL, Mucin-1, ScFv_SM3, ... | Authors: | Bermejo, I.A, Navo, C.D, Castro-Lopez, J, Samchez-Fernandez, E.M, Guerreiro, A, Avenoza, A, Busto, J.H, Garcia-Martin, F, Nishimura, S.I, Garcia-Fernandez, J.M, Ortiz-Mellet, C, Bernardes, G.J.L, Hurtado-Guerrero, R, Peregrina, J.M, Corzana, F. | Deposit date: | 2019-11-15 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis, conformational analysis and in vivo assays of an anti-cancer vaccine that features an unnatural antigen based on an sp 2 -iminosugar fragment. Chem Sci, 11, 2020
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5ON9
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![BU of 5on9 by Molmil](/molmil-images/mine/5on9) | Crystal structure of NikA in complex with reduced Fe-L1 (N-(2-hydroxybenzyl)-N'-(2-thiomethylbenzyl)-N,N'-ethylenediamine diacetic acid) | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-[2-[2-hydroxy-2-oxoethyl-[(3-methoxy-2-oxidanyl-phenyl)methyl]amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid, ACETATE ION, ... | Authors: | Cavazza, C, Menage, S. | Deposit date: | 2017-08-03 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Cross-Linked Artificial Enzyme Crystals as Heterogeneous Catalysts for Oxidation Reactions. J. Am. Chem. Soc., 139, 2017
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6RPE
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![BU of 6rpe by Molmil](/molmil-images/mine/6rpe) | Structure of 5% reduced KpDyP in complex with cyanide | Descriptor: | CYANIDE ION, GLYCEROL, Iron-dependent peroxidase, ... | Authors: | Pfanzagl, V, Beale, J, Hofbauer, S. | Deposit date: | 2019-05-14 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner. J.Biol.Chem., 295, 2020
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7NRY
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![BU of 7nry by Molmil](/molmil-images/mine/7nry) | Re-refinement of MAPKAP kinase-2/inhibitor complex 3fyj | Descriptor: | (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one, CHLORIDE ION, MALONIC ACID, ... | Authors: | Croll, T.I, Read, R.J. | Deposit date: | 2021-03-04 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Adaptive Cartesian and torsional restraints for interactive model rebuilding. Acta Crystallogr D Struct Biol, 77, 2021
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5ON1
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![BU of 5on1 by Molmil](/molmil-images/mine/5on1) | Crystal structure of NikA in complex with hydroxylated Fe-L1 (N-(2-hydroxybenzyl)-N'-(2-thiomethylbenzyl)-N,N'-ethylenediamine diacetic acid) | Descriptor: | 2-[2-[[2,3-bis(oxidanyl)phenyl]methyl-(2-hydroxy-2-oxoethyl)amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid, ACETATE ION, CHLORIDE ION, ... | Authors: | Cavazza, C, Menage, S. | Deposit date: | 2017-08-02 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Cross-Linked Artificial Enzyme Crystals as Heterogeneous Catalysts for Oxidation Reactions. J. Am. Chem. Soc., 139, 2017
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8JYY
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![BU of 8jyy by Molmil](/molmil-images/mine/8jyy) | |
8JYV
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![BU of 8jyv by Molmil](/molmil-images/mine/8jyv) | |