6MHA
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![BU of 6mha by Molmil](/molmil-images/mine/6mha) | dHP1 Chromodomain Y24W variant bound to histone H3 peptide containing trimethyllysine | Descriptor: | Heterochromatin protein 1, histone H3 peptide containing trimethyllysine, H3K9me3 | Authors: | Brustad, E.M, Krone, M.W, Albanese, K.I, Waters, M.L. | Deposit date: | 2018-09-17 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | Thermodynamic consequences of Tyr to Trp mutations in the cation-pi-mediated binding of trimethyllysine by the HP1 chromodomain Chem Sci, 11, 2020
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6JEW
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6SSZ
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![BU of 6ssz by Molmil](/molmil-images/mine/6ssz) | Structure of the Plasmodium falciparum falcipain 2 protease in complex with an (E)-chalcone inhibitor. | Descriptor: | (~{E})-3-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one, Cysteine proteinase falcipain 2a | Authors: | Machin, J, Kantsadi, A, Vakonakis, I. | Deposit date: | 2019-09-09 | Release date: | 2019-12-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | The complex of Plasmodium falciparum falcipain-2 protease with an (E)-chalcone-based inhibitor highlights a novel, small, molecule-binding site. Malar.J., 18, 2019
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5IIE
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6SQT
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5IIP
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![BU of 5iip by Molmil](/molmil-images/mine/5iip) | Staphylococcus aureus OpuCA | Descriptor: | Glycine betaine/carnitine/choline ABC transporter%2C ATP-binding protein%2C putative | Authors: | Tosi, T, Campeotto, I, Freemont, P.S, Grundling, A. | Deposit date: | 2016-03-01 | Release date: | 2016-08-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The second messenger c-di-AMP inhibits the osmolyte uptake system OpuC in Staphylococcus aureus. Sci.Signal., 9, 2016
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4WEV
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![BU of 4wev by Molmil](/molmil-images/mine/4wev) | Crystal structure of human AKR1B10 complexed with NADP+ and sulindac | Descriptor: | Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Crespo, I, Porte, S, Pares, X, Farres, J, Podjarny, A. | Deposit date: | 2014-09-11 | Release date: | 2015-01-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.453 Å) | Cite: | Structural analysis of sulindac as an inhibitor of aldose reductase and AKR1B10. Chem.Biol.Interact., 234, 2015
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4WF8
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![BU of 4wf8 by Molmil](/molmil-images/mine/4wf8) | Crystal structure of NS3/4A protease in complex with Asunaprevir | Descriptor: | CHLORIDE ION, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, NS3 protein, ... | Authors: | Schiffer, C.A, Soumana, D.I, Ali, A. | Deposit date: | 2014-09-13 | Release date: | 2014-10-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Analysis of Asunaprevir Resistance in HCV NS3/4A Protease. Acs Chem.Biol., 9, 2014
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6MJ1
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6SYK
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![BU of 6syk by Molmil](/molmil-images/mine/6syk) | Guanine-rich oligonucleotide with 5'- and 3'-GC ends form G-quadruplex with A(GGGG)A hexad, GCGC- and G-quartets and two symmetric GG and AA base pair | Descriptor: | GCnCG | Authors: | Pavc, D, Wang, B, Spindler, L, Drevensek-Olenik, I, Plavec, J, Sket, P. | Deposit date: | 2019-09-30 | Release date: | 2020-07-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | GC ends control topology of DNA G-quadruplexes and their cation-dependent assembly. Nucleic Acids Res., 48, 2020
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6SUG
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![BU of 6sug by Molmil](/molmil-images/mine/6sug) | Crystal structure of transthyretin in complex with 3-deoxytolcapone, a tolcapone analogue | Descriptor: | 3-deoxytolcapone, Transthyretin | Authors: | Loconte, V, Cianci, M, Menozzi, I, Sbravati, D, Sansone, F, Casnati, A, Berni, R. | Deposit date: | 2019-09-14 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Interactions of tolcapone analogues as stabilizers of the amyloidogenic protein transthyretin. Bioorg.Chem., 103, 2020
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4X1E
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![BU of 4x1e by Molmil](/molmil-images/mine/4x1e) | Crystal structure of unliganded E. coli transcriptional regulator RutR, W167A mutant | Descriptor: | HTH-type transcriptional regulator RutR | Authors: | Nguyen Le Minh, P, de Cima, S, Bervoets, I, Maes, D, Rubio, V, Charlier, D. | Deposit date: | 2014-11-24 | Release date: | 2015-01-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Ligand binding specificity of RutR, a member of the TetR family of transcription regulators in Escherichia coli. Febs Open Bio, 5, 2015
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6SVV
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![BU of 6svv by Molmil](/molmil-images/mine/6svv) | Reference structure of bovine trypsin (odd frames of crystal x30) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Ahlberg Gagner, V, Lundholm, I, Garcia-Bonete, M.J, Rodilla, H, Friedman, R, Zhaunerchyk, V, Bourenkov, G, Schneider, T, Stake, J, Katona, G. | Deposit date: | 2019-09-19 | Release date: | 2020-01-22 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Clustering of atomic displacement parameters in bovine trypsin reveals a distributed lattice of atoms with shared chemical properties. Sci Rep, 9, 2019
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6SWZ
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4WEM
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![BU of 4wem by Molmil](/molmil-images/mine/4wem) | Co-complex structure of the F4 fimbrial adhesin FaeG variant ac with llama single domain antibody V1 | Descriptor: | Anti-F4+ETEC bacteria VHH variable region, K88 fimbrial protein AC, PHOSPHATE ION | Authors: | Moonens, K, Van den Broeck, I, Pardon, E, De Kerpel, M, Remaut, H, De Greve, H. | Deposit date: | 2014-09-10 | Release date: | 2015-02-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural insight in the inhibition of adherence of F4 fimbriae producing enterotoxigenic Escherichia coli by llama single domain antibodies. Vet. Res., 46, 2015
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6SVG
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![BU of 6svg by Molmil](/molmil-images/mine/6svg) | Terahertz irradiated structure of bovine trypsin (odd frames of crystal x41) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Ahlberg Gagner, V, Lundholm, I, Garcia-Bonete, M.J, Rodilla, H, Friedman, R, Zhaunerchyk, V, Bourenkov, G, Schneider, T, Stake, J, Katona, G. | Deposit date: | 2019-09-18 | Release date: | 2020-01-22 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Clustering of atomic displacement parameters in bovine trypsin reveals a distributed lattice of atoms with shared chemical properties. Sci Rep, 9, 2019
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4X2Q
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![BU of 4x2q by Molmil](/molmil-images/mine/4x2q) | Crystal Structure of Human Aldehyde Dehydrogenase, ALDH1a2 | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2 | Authors: | Stenkamp, R.E, Le Trong, I, Amory, J.K, Paik, J, Goldstein, A.S. | Deposit date: | 2014-11-26 | Release date: | 2015-12-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Synthesis and In Vitro Testing of Bisdichloroacetyldiamine Analogs for Use as a Reversible Male Contraceptive To Be Published
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4FLG
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![BU of 4flg by Molmil](/molmil-images/mine/4flg) | HIV-1 protease mutant I47V complexed with reaction intermediate | Descriptor: | CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ... | Authors: | Yu, X, Shen, C.H, Weber, I.T. | Deposit date: | 2012-06-14 | Release date: | 2012-10-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease. Biochemistry, 51, 2012
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4FLQ
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![BU of 4flq by Molmil](/molmil-images/mine/4flq) | Crystal structure of Amylosucrase double mutant A289P-F290I from Neisseria polysaccharea. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amylosucrase, GLYCEROL, ... | Authors: | Guerin, F, Champion, E, Moulis, C, Barbe, S, Tran, T.H, Morel, S, Descroix, K, Monsan, P, Mulard, L.A, Remaud-Simeon, M, Andre, I, Mourey, L, Tranier, S. | Deposit date: | 2012-06-15 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Applying pairwise combinations of amino Acid mutations for sorting out highly efficient glucosylation tools for chemo-enzymatic synthesis of bacterial oligosaccharides. J.Am.Chem.Soc., 134, 2012
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5UFB
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![BU of 5ufb by Molmil](/molmil-images/mine/5ufb) | Crystal Structure of Variable Lymphocyte Receptor (VLR) Tn4-22 (Apo) | Descriptor: | Tn4-22 | Authors: | Collins, B.C, Gunn, R.J, McKitrick, T.R, Cummings, R.D, Cooper, M.D, Herrin, B.R, Wilson, I.A. | Deposit date: | 2017-01-04 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.844 Å) | Cite: | Structural Insights into VLR Fine Specificity for Blood Group Carbohydrates. Structure, 25, 2017
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6GYG
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2ZFA
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![BU of 2zfa by Molmil](/molmil-images/mine/2zfa) | Structure of Lactate Oxidase at pH4.5 from AEROCOCCUS VIRIDANS | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, Lactate oxidase | Authors: | Furuichi, M, Balasundaresan, D, Suzuki, N, Yoshida, Y, Minagawa, H, Kaneko, H, Waga, I, Kumar, P.K.R, Mizuno, H. | Deposit date: | 2007-12-26 | Release date: | 2008-04-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | X-ray structures of Aerococcus viridans lactate oxidase and its complex with D-lactate at pH 4.5 show an alpha-hydroxyacid oxidation mechanism J.Mol.Biol., 378, 2008
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6MUZ
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![BU of 6muz by Molmil](/molmil-images/mine/6muz) | Lysozyme, room temperature structure solved by serial 3 degree oscillation crystallography | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Kriksunov, I, Gruner, S.M, Miller, R.J.D. | Deposit date: | 2018-10-24 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.839 Å) | Cite: | Fixed-target serial oscillation crystallography at room temperature. IUCrJ, 6, 2019
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6SZF
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![BU of 6szf by Molmil](/molmil-images/mine/6szf) | Solution structure of the amyloid beta-peptide (1-42) | Descriptor: | Amyloid-beta precursor protein | Authors: | Grimaldi, M, Santoro, A, Stillitano, I, Buonocore, M, D'Ursi, A.M. | Deposit date: | 2019-10-02 | Release date: | 2020-10-14 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Exploring the Early Stages of the Amyloid A beta (1-42) Peptide Aggregation Process: An NMR Study. Pharmaceuticals, 14, 2021
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6H2O
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![BU of 6h2o by Molmil](/molmil-images/mine/6h2o) | APO structure of Phenylalanine ammonia-lyase from Petroselinum crispum | Descriptor: | Phenylalanine ammonia-lyase 1 | Authors: | Molnar, B, Bata, Z, Leveles, I, Poppe, L, Vertessy, G.B. | Deposit date: | 2018-07-14 | Release date: | 2019-07-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Substrate Tunnel Engineering Aided by X-ray Crystallography and Functional Dynamics Swaps the Function of MIO-Enzymes Acs Catalysis, 2021
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