6TVN
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![BU of 6tvn by Molmil](/molmil-images/mine/6tvn) | Crystal Structure of 5-bromoindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase | Descriptor: | 5-bromanyl-1,3-dihydroindol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ... | Authors: | Brear, P, Wagstaff, J, Hyvonen, M. | Deposit date: | 2020-01-10 | Release date: | 2020-11-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C To Be Published
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6U18
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![BU of 6u18 by Molmil](/molmil-images/mine/6u18) | Directed evolution of a biosensor selective for the macrolide antibiotic clarithromycin | Descriptor: | CITRATE ANION, CLARITHROMYCIN, Erythromycin resistance repressor protein | Authors: | Li, Y, Reed, M, Wright, H.T, Cropp, T.A, Williams, G. | Deposit date: | 2019-08-15 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of Genetically Encoded Biosensors for Reporting the Methyltransferase-Dependent Biosynthesis of Semisynthetic Macrolide Antibiotics. Acs Synth Biol, 2021
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7BPF
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![BU of 7bpf by Molmil](/molmil-images/mine/7bpf) | Structure of L-threoninol nucleic acid - RNA complex | Descriptor: | L-aTNA (3'-(*GP*CP*AP*GP*CP*AP*GP*C)-1'), RNA (5'-R(*GP*CP*UP*GP*CP*(5BU)P*GP*C)-3') | Authors: | Kamiya, Y, Satoh, T, Kodama, A, Suzuki, T, Uchiyama, S, Kato, K, Asanuma, H. | Deposit date: | 2020-03-22 | Release date: | 2020-11-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Intrastrand backbone-nucleobase interactions stabilize unwound right-handed helical structures of heteroduplexes of L-aTNA/RNA and SNA/RNA Commun Chem, 2020
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6TVT
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![BU of 6tvt by Molmil](/molmil-images/mine/6tvt) | Crystal structure of the haemagglutinin mutant (Gln226Leu, Del228) from an H10N7 seal influenza virus isolated in Germany in complex with human receptor analogue 6'-SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | Deposit date: | 2020-01-10 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals. Cell Host Microbe, 28, 2020
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5NTD
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![BU of 5ntd by Molmil](/molmil-images/mine/5ntd) | Structure of Leucyl aminopeptidase from Trypanosoma brucei in complex with Bestatin | Descriptor: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BICARBONATE ION, ... | Authors: | Timm, J, Wilson, K. | Deposit date: | 2017-04-27 | Release date: | 2017-08-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei. mSphere, 2, 2018
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7BPR
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![BU of 7bpr by Molmil](/molmil-images/mine/7bpr) | Crystal structure of human TEX101 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PLATINUM (II) ION, Testis-expressed protein 101 | Authors: | Masutani, M, Sakurai, S, Shimizu, T, Ohto, U. | Deposit date: | 2020-03-23 | Release date: | 2020-07-15 | Last modified: | 2020-12-23 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of TEX101, a glycoprotein essential for male fertility, reveals the presence of tandemly arranged Ly6/uPAR domains. Febs Lett., 594, 2020
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6U1J
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![BU of 6u1j by Molmil](/molmil-images/mine/6u1j) | Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphate, D-ala-D-ala, Mg2+ and K+ | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-ALANINE, D-alanine--D-alanine ligase, ... | Authors: | Pederick, J.L, Bruning, J.B, Thompson, A.P. | Deposit date: | 2019-08-15 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations. J.Biol.Chem., 295, 2020
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7BR0
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![BU of 7br0 by Molmil](/molmil-images/mine/7br0) | Crystal structure of AclR, a thioredoxin oxidoreductase fold protein carrying the CXXH catalytic motif | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Pyr_redox_2 domain-containing protein | Authors: | Hara, K, Hashimoto, H, Maeda, N, Watanabe, K, Hertweck, C, Tsunematsu, Y. | Deposit date: | 2020-03-26 | Release date: | 2020-12-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Specialized Flavoprotein Promotes Sulfur Migration and Spiroaminal Formation in Aspirochlorine Biosynthesis. J.Am.Chem.Soc., 143, 2021
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6TXW
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![BU of 6txw by Molmil](/molmil-images/mine/6txw) | V30G Transthyretin structure in complex with Tolcalpone | Descriptor: | Tolcapone, Transthyretin | Authors: | Varejao, N, Reverter, D, Pinheiro, F, Pallares, I, Ventura, S. | Deposit date: | 2020-01-14 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.153 Å) | Cite: | Tolcapone, a potent aggregation inhibitor for the treatment of familial leptomeningeal amyloidosis. Febs J., 288, 2021
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5NYY
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![BU of 5nyy by Molmil](/molmil-images/mine/5nyy) | Formylglycine generating enzyme from T. curvata in complex with Cd(II) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | Authors: | Meury, M, Knop, M, Seebeck, F.P. | Deposit date: | 2017-05-12 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Structural Basis for Copper-Oxygen Mediated C-H Bond Activation by the Formylglycine-Generating Enzyme. Angew. Chem. Int. Ed. Engl., 56, 2017
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6U3V
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6U4I
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7BQ3
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![BU of 7bq3 by Molmil](/molmil-images/mine/7bq3) | X-ray structure of human PPARalpha ligand binding domain-GW7647-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization | Descriptor: | 15-meric peptide from Nuclear receptor coactivator 1, 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid, Peroxisome proliferator-activated receptor alpha | Authors: | Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | Deposit date: | 2020-03-23 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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6U4O
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7BTV
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![BU of 7btv by Molmil](/molmil-images/mine/7btv) | Crystal structure of EHMT2 SET domain in complex with compound 5. | Descriptor: | Histone-lysine N-methyltransferase EHMT2, N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine, S-ADENOSYLMETHIONINE, ... | Authors: | Suzuki, M, Mizuno, T, Katayama, K. | Deposit date: | 2020-04-03 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of novel histone lysine methyltransferase G9a/GLP (EHMT2/1) inhibitors: Design, synthesis, and structure-activity relationships of 2,4-diamino-6-methylpyrimidines. Bioorg.Med.Chem.Lett., 30, 2020
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5O1L
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![BU of 5o1l by Molmil](/molmil-images/mine/5o1l) | Structure of Latex Clearing Protein LCP in the open state with bound imidazole | Descriptor: | (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, IMIDAZOLE, ... | Authors: | Ilcu, L, Roether, W, Birke, J, Brausemann, A, Einsle, O, Jendrossek, D. | Deposit date: | 2017-05-18 | Release date: | 2017-08-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structural and Functional Analysis of Latex Clearing Protein (Lcp) Provides Insight into the Enzymatic Cleavage of Rubber. Sci Rep, 7, 2017
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5O8I
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6U1Z
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5O8X
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5O98
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![BU of 5o98 by Molmil](/molmil-images/mine/5o98) | Binary complex of Catharanthus roseus Vitrosamine Synthase with NADP+ | Descriptor: | Alcohol dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Stavrinides, A.K, Tatsis, E.C, Dang, T.T, Caputi, L, Stevenson, C.E.M, Lawson, D.M, Schneider, B, O'Connor, S.E. | Deposit date: | 2017-06-16 | Release date: | 2018-02-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of a Short-Chain Dehydrogenase from Catharanthus roseus that Produces a New Monoterpene Indole Alkaloid. Chembiochem, 19, 2018
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5OAB
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![BU of 5oab by Molmil](/molmil-images/mine/5oab) | A novel crystal form of human RNase6 at atomic resolution | Descriptor: | CHLORIDE ION, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Prats-Ejarque, G, Moussaoui, M, Boix, E. | Deposit date: | 2017-06-21 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.111 Å) | Cite: | Characterization of an RNase with two catalytic centers. Human RNase6 catalytic and phosphate-binding site arrangement favors the endonuclease cleavage of polymeric substrates. Biochim Biophys Acta Gen Subj, 1863, 2019
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5OAJ
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![BU of 5oaj by Molmil](/molmil-images/mine/5oaj) | Crystal structure of mutant AChBP in complex with tropisetron (T53F, Q74R, Y110A, I135S, G162E) | Descriptor: | (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-INDOLE-3-CARBOXYLATE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P. | Deposit date: | 2017-06-22 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein. Iucrj, 6, 2019
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5NS4
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![BU of 5ns4 by Molmil](/molmil-images/mine/5ns4) | Crystal structures of Cy3 cyanine fluorophores stacked onto the end of double-stranded RNA | Descriptor: | 3-[(2~{Z})-2-[(~{E})-3-[3,3-dimethyl-1-(3-oxidanylpropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-indol-1-yl]propan-1-ol, 50S ribosomal protein L5, MAGNESIUM ION, ... | Authors: | Liu, Y.J, Lilley, D.M.J. | Deposit date: | 2017-04-25 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structures of Cyanine Fluorophores Stacked onto the End of Double-Stranded RNA. Biophys. J., 113, 2017
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5OB2
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5NSL
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