7AB7
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![BU of 7ab7 by Molmil](/molmil-images/mine/7ab7) | Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) I52T Q148K variant | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, Multi-sensor hybrid histidine kinase, ... | Authors: | Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I. | Deposit date: | 2020-09-06 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins. J.Biol.Chem., 296, 2021
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6RX7
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6S3O
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![BU of 6s3o by Molmil](/molmil-images/mine/6s3o) | Crystal structure of helicase Pif1 from Thermus oshimai in complex with ssDNA (dT)18 and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ... | Authors: | Dai, Y.X, Chen, W.F, Teng, F.Y, Liu, N.N, Hou, X.M, Dou, S.X, Rety, S, Xi, X.G. | Deposit date: | 2019-06-25 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.974 Å) | Cite: | Structural and functional studies of SF1B Pif1 from Thermus oshimai reveal dimerization-induced helicase inhibition. Nucleic Acids Res., 49, 2021
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7AB6
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![BU of 7ab6 by Molmil](/molmil-images/mine/7ab6) | Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) I52T variant | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, Multi-sensor hybrid histidine kinase, ... | Authors: | Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I. | Deposit date: | 2020-09-06 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins. J.Biol.Chem., 296, 2021
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6RXB
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![BU of 6rxb by Molmil](/molmil-images/mine/6rxb) | Crystal structure of TetR-Q116A from Acinetobacter baumannii AYE in complex with minocycline | Descriptor: | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Tam, H.K, Himpich, S, Pos, K.M. | Deposit date: | 2019-06-07 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Binding of Tetracyclines to Acinetobacter baumannii TetR Involves Two Arginines as Specificity Determinants Front Microbiol, 2021
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7A1E
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![BU of 7a1e by Molmil](/molmil-images/mine/7a1e) | LppS with covalent adduct derived from 1c | Descriptor: | ACETATE ION, L,D-transpeptidase 2, phenylmethanethiol | Authors: | Schnell, R, Steiner, E.M. | Deposit date: | 2020-08-12 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis. Cell Chem Biol, 28, 2021
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7A0Z
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![BU of 7a0z by Molmil](/molmil-images/mine/7a0z) | LppS with covalent adduct derived from 1b | Descriptor: | L,D-transpeptidase 2, TRIS(HYDROXYETHYL)AMINOMETHANE, benzenethiol | Authors: | Schnell, R, Steiner, E.M. | Deposit date: | 2020-08-11 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis. Cell Chem Biol, 28, 2021
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7A11
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![BU of 7a11 by Molmil](/molmil-images/mine/7a11) | LppS with covalent adduct derived from 1E | Descriptor: | ACETATE ION, L,D-transpeptidase 2, propane-1-thiol | Authors: | Schnell, R, Steiner, E.M. | Deposit date: | 2020-08-11 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis. Cell Chem Biol, 28, 2021
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5M5R
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7A1C
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7ABY
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![BU of 7aby by Molmil](/molmil-images/mine/7aby) | Crystal structure of iLOV-Q489K mutant | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, Phototropin-2 | Authors: | Granzin, J, Batra-Safferling, R. | Deposit date: | 2020-09-09 | Release date: | 2021-04-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins. J.Biol.Chem., 296, 2021
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6S57
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6S62
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5M70
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![BU of 5m70 by Molmil](/molmil-images/mine/5m70) | Crystal Structure of human RhoGAP mutated in its arginin finger (R85A) in complex with RhoA.GDP.AlF4- human | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ... | Authors: | Pellegrini, E, Bowler, M.W. | Deposit date: | 2016-10-26 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches. Angew. Chem. Int. Ed. Engl., 56, 2017
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5M5J
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![BU of 5m5j by Molmil](/molmil-images/mine/5m5j) | Thioredoxin reductase from Giardia duodenalis | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, Thioredoxin reductase | Authors: | Fiorillo, A, Ilari, A, Lalle, M. | Deposit date: | 2016-10-21 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural characterization of Giardia duodenalis thioredoxin reductase (gTrxR) and computational analysis of its interaction with NBDHEX. Eur J Med Chem, 135, 2017
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6S7C
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![BU of 6s7c by Molmil](/molmil-images/mine/6s7c) | Crystal structure of CARM1 in complex with inhibitor UM079 | Descriptor: | 1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine, Histone-arginine methyltransferase CARM1 | Authors: | Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. | Deposit date: | 2019-07-04 | Release date: | 2020-03-04 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4). Biochem.J., 477, 2020
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5M6C
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![BU of 5m6c by Molmil](/molmil-images/mine/5m6c) | CRYSTAL STRUCTURE OF T71N MUTANT OF HUMAN HIPPOCALCIN | Descriptor: | CALCIUM ION, Neuron-specific calcium-binding protein hippocalcin | Authors: | Helassa, N, Antonyuk, S.V, Lian, L.Y, Haynes, L.P, Burgoyne, R.D. | Deposit date: | 2016-10-24 | Release date: | 2017-04-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Biophysical and functional characterization of hippocalcin mutants responsible for human dystonia. Hum. Mol. Genet., 26, 2017
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6S1R
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6S1X
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6RHL
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![BU of 6rhl by Molmil](/molmil-images/mine/6rhl) | Room temperature data of Galectin-3C in complex with a pair of enantiomeric ligands: R enantiomer | Descriptor: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | Authors: | Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-04-22 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.299 Å) | Cite: | Are crystallographic B-factors suitable for calculating protein conformational entropy? Phys Chem Chem Phys, 21, 2019
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5M6R
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![BU of 5m6r by Molmil](/molmil-images/mine/5m6r) | Human porphobilinogen deaminase in complex with reaction intermediate | Descriptor: | 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PHOSPHATE ION, ... | Authors: | Pluta, P, Millet, O, Roversi, P, Rojas, A.L, Gu, S. | Deposit date: | 2016-10-25 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Structural basis of pyrrole polymerization in human porphobilinogen deaminase. Biochim Biophys Acta Gen Subj, 1862, 2018
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7AC8
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6S2H
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6ZOD
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![BU of 6zod by Molmil](/molmil-images/mine/6zod) | Fusidic acid binding to the allosteric deep transmembrane domain binding pocket, TM7/TM8 groove, and TM1/TM2 groove of the fully induced AcrB T protomer | Descriptor: | 1,2-ETHANEDIOL, DARPIN, DECANE, ... | Authors: | Oswald, C, Tam, H.K, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
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6RIR
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![BU of 6rir by Molmil](/molmil-images/mine/6rir) | Crystal structure of phosphorylated Rab8a in complex with the Rab-binding domain of RILPL2 | Descriptor: | GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Waschbusch, D, Purlyte, E, Alessi, D.R, Khan, A.R. | Deposit date: | 2019-04-25 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.767 Å) | Cite: | Structural Basis for Rab8a Recruitment of RILPL2 via LRRK2 Phosphorylation of Switch 2. Structure, 28, 2020
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