8P2N
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7N2W
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![BU of 7n2w by Molmil](/molmil-images/mine/7n2w) | The crystal structure of an FMN-dependent NADH-azoreductase, AzoA in complex with Red 40 | Descriptor: | 6-hydroxy-5-[(E)-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid, FLAVIN MONONUCLEOTIDE, FMN dependent NADH:quinone oxidoreductase | Authors: | Arcinas, A.J, Fedorov, E, Kelly, L, Almo, S.C, Ghosh, A. | Deposit date: | 2021-05-30 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Uncovering a novel mechanism of enzyme activation in multimeric azoreductases To Be Published
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6M35
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![BU of 6m35 by Molmil](/molmil-images/mine/6m35) | Crystal structure of sulfur oxygenase reductase from Sulfurisphaera tokodaii | Descriptor: | FE (III) ION, GLYCEROL, SULFATE ION, ... | Authors: | Sato, Y, Yabuki, T, Arakawa, T, Yamada, C, Fushinobu, S, Wakagi, T. | Deposit date: | 2020-03-02 | Release date: | 2020-07-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystallographic and cryogenic electron microscopic structures and enzymatic characterization of sulfur oxygenase reductase fromSulfurisphaera tokodaii. J Struct Biol X, 4, 2020
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8CQ8
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6A4Q
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![BU of 6a4q by Molmil](/molmil-images/mine/6a4q) | HEWL crystals soaked in 2.5M GuHCl for 110 minutes | Descriptor: | CHLORIDE ION, GLYCEROL, GUANIDINE, ... | Authors: | Tushar, R, Kini, R.M, Koh, C.Y, Hosur, M.V. | Deposit date: | 2018-06-20 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | X-ray crystallographic analysis of time-dependent binding of guanidine hydrochloride to HEWL: First steps during protein unfolding. Int. J. Biol. Macromol., 122, 2019
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5ANN
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![BU of 5ann by Molmil](/molmil-images/mine/5ann) | Structure of fructofuranosidase from Xanthophyllomyces dendrorhous | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-FRUCTOFURANOSIDASE, ... | Authors: | Ramirez-Escudero, M, Sanz-Aparicio, J. | Deposit date: | 2015-09-07 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structural Analysis of Beta-Fructofuranosidase from Xanthophyllomyces Dendrorhous Reveals Unique Features and the Crucial Role of N-Glycosylation in Oligomerization and Activity J.Biol.Chem., 291, 2016
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8CQO
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![BU of 8cqo by Molmil](/molmil-images/mine/8cqo) | Crystal structure of Borrelia burgdorferi paralogous family 12 outer surface protein BBK01 (Se-Met data) | Descriptor: | Lipoprotein, putative | Authors: | Brangulis, K, Drunka, L, Matisone, S, Akopjana, I, Tars, K. | Deposit date: | 2023-03-06 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of Borrelia burgdorferi outer surface protein BBK01 To Be Published
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7VMV
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7MY0
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![BU of 7my0 by Molmil](/molmil-images/mine/7my0) | Sy-CrtE IPP structure | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Geranylgeranyl pyrophosphate synthase, ... | Authors: | Peat, T.S, Newman, J. | Deposit date: | 2021-05-19 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase. Febs J., 289, 2022
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5AO8
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8CQN
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![BU of 8cqn by Molmil](/molmil-images/mine/8cqn) | Crystal structure of Borrelia burgdorferi paralogous family 12 outer surface protein BBK01 | Descriptor: | Lipoprotein, putative | Authors: | Brangulis, K, Drunka, L, Matisone, S, Akopjana, I, Tars, K. | Deposit date: | 2023-03-06 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of Borrelia burgdorferi outer surface protein BBK01 To Be Published
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6M4W
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![BU of 6m4w by Molmil](/molmil-images/mine/6m4w) | Crystal structure of MBP fused split FKBP-FRB T2098L mutant in complex with rapamycin | Descriptor: | GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, ... | Authors: | Kikuchi, M, Wu, D, Inoue, T, Umehara, T. | Deposit date: | 2020-03-09 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Rational design and implementation of a chemically inducible heterotrimerization system. Nat.Methods, 17, 2020
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7VFR
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![BU of 7vfr by Molmil](/molmil-images/mine/7vfr) | GltA N83K mutant from Bifidobacterium infantis JCM 1222 complexed with lacto-N-tetraose | Descriptor: | Extracellular solute-binding protein, family 1, SULFATE ION, ... | Authors: | Sato, M, Sakanaka, M, Katayama, T, Fushinobu, S. | Deposit date: | 2021-09-13 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Short stretch sequence of a milk oligosaccharide transporter represents the phenotypic selection trajectory in infant gut microbiome To Be Published
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8CQ9
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![BU of 8cq9 by Molmil](/molmil-images/mine/8cq9) | Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-(cyclopropylethynyl)-6-(4-(trifluoromethyl)phenyl)pyrimidine-2,4-diamine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(~{E})-2-cyclopropylethenyl]-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine, COBALT (II) ION, ... | Authors: | Kirkman, T.J, Dias, M.V.B, Coyne, A.G. | Deposit date: | 2023-03-04 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Expansion of a series of pyrimidine derivatives utilising fragment-based merging leads to increased affinity to Mycobacterium tuberculosis dihydrofolate reductase (unpublished currently) To Be Published
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7VD4
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![BU of 7vd4 by Molmil](/molmil-images/mine/7vd4) | Crystal structure of BPTF-BRD with ligand TP248 bound | Descriptor: | 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | Authors: | Lu, T, Lu, H.B. | Deposit date: | 2021-09-06 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85659146 Å) | Cite: | Discovery of a highly potent CECR2 bromodomain inhibitor with 7H-pyrrolo[2,3-d] pyrimidine scaffold. Bioorg.Chem., 123, 2022
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7MYM
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![BU of 7mym by Molmil](/molmil-images/mine/7mym) | Crystal structure of Escherichia coli dihydrofolate reductase in complex with TRIMETHOPRIM and NADPH | Descriptor: | ARGININE, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Erlandsen, H, Wright, D, Krucinska, J. | Deposit date: | 2021-05-21 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens. Commun Biol, 5, 2022
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7VFQ
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![BU of 7vfq by Molmil](/molmil-images/mine/7vfq) | Wild type GltA from Bifidobacterium infantis JCM 1222 complexed with lacto-N-tetraose | Descriptor: | Extracellular solute-binding protein, family 1, SULFATE ION, ... | Authors: | Sato, M, Sakanaka, M, Katayama, T, Fushinobu, S. | Deposit date: | 2021-09-13 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Short stretch sequence of a milk oligosaccharide transporter represents the phenotypic selection trajectory in infant gut microbiome To Be Published
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7TB6
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![BU of 7tb6 by Molmil](/molmil-images/mine/7tb6) | Structure of S. maltophilia CapW | Descriptor: | S. maltophilia CapW, SULFATE ION | Authors: | Blankenchip, C.L, Nguyen, J.V, Lau, R.K, Ye, Q, Corbett, K.D. | Deposit date: | 2021-12-21 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Control of bacterial immune signaling by a WYL domain transcription factor. Nucleic Acids Res., 50, 2022
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7VEP
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6UDR
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![BU of 6udr by Molmil](/molmil-images/mine/6udr) | S2 symmetric peptide design number 3 crystal form 1, Lurch | Descriptor: | S2-3, Lurch crystal form 1 | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-19 | Release date: | 2020-09-23 | Last modified: | 2020-12-02 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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7N47
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![BU of 7n47 by Molmil](/molmil-images/mine/7n47) | The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988514 | Descriptor: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | Deposit date: | 2021-06-03 | Release date: | 2022-06-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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5AQX
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![BU of 5aqx by Molmil](/molmil-images/mine/5aqx) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | (1R,2S,3R,5R)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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8C6L
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![BU of 8c6l by Molmil](/molmil-images/mine/8c6l) | Human protein kinase CK2 alpha in complex with CK2-TN01 | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-3-[(~{Z})-1-cyano-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-3~{H}-pyrazole-4-carbonitrile, Casein kinase II subunit alpha, ... | Authors: | Dalle Vedove, A, Cazzanelli, G, Lolli, G. | Deposit date: | 2023-01-12 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Switching off CK2-mediated activation of survivin offers new therapeutic opportunities in neuroblastoma to be published
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7TB5
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![BU of 7tb5 by Molmil](/molmil-images/mine/7tb5) | Structure of P. aeruginosa PA17 CapW | Descriptor: | SULFATE ION, WYL domain-containing protein | Authors: | Blankenchip, C.L, Nguyen, J.V, Lau, R.K, Ye, Q, Corbett, K.D. | Deposit date: | 2021-12-21 | Release date: | 2022-01-19 | Last modified: | 2022-06-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Control of bacterial immune signaling by a WYL domain transcription factor. Nucleic Acids Res., 50, 2022
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7VMF
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