8P1A
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![BU of 8p1a by Molmil](/molmil-images/mine/8p1a) | Lysozyme structure solved from serial crystallography data collected at 2 kHz for 5 seconds with JUNGFRAU detector at MAXIV | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C | Authors: | Nan, J, Leonarski, F, Furrer, A, Dworkowski, F. | Deposit date: | 2023-05-11 | Release date: | 2023-10-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source. Iucrj, 10, 2023
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4WUP
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![BU of 4wup by Molmil](/molmil-images/mine/4wup) | Crystal structure of human carbonic anhydrase isozyme I with 4-[(2-Hydroxyethyl)thio]benzenesulfonamide | Descriptor: | 4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, ACETATE ION, Carbonic anhydrase 1, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2014-11-03 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry. Biophys.Chem., 205, 2015
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8P1D
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![BU of 8p1d by Molmil](/molmil-images/mine/8p1d) | Lysozyme structure solved from serial crystallography data collected at 100 Hz with JUNGFRAU detector at MAXIV | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Nan, J, Leonarski, F, Furrer, A, Dworkowski, F. | Deposit date: | 2023-05-11 | Release date: | 2023-10-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source. Iucrj, 10, 2023
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8H7Z
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![BU of 8h7z by Molmil](/molmil-images/mine/8h7z) | |
8CJK
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![BU of 8cjk by Molmil](/molmil-images/mine/8cjk) | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-098 | Descriptor: | 3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | Deposit date: | 2023-02-13 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45914972 Å) | Cite: | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 66, 2023
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5LIS
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8H7L
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![BU of 8h7l by Molmil](/molmil-images/mine/8h7l) | Cryo-EM Structure of SARS-CoV-2 BA.2 Spike protein in complex with BA7535 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7535 fab heavt chain, ... | Authors: | Liu, Z, Yan, A, Gao, Y. | Deposit date: | 2022-10-20 | Release date: | 2023-08-30 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.44 Å) | Cite: | Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants. Nat Commun, 15, 2024
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3IUO
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![BU of 3iuo by Molmil](/molmil-images/mine/3iuo) | The Crystal Structure of the C-terminal domain of the ATP-dependent DNA helicase RecQ from Porphyromonas gingivalis to 1.6A | Descriptor: | ATP-dependent DNA helicase RecQ, CHLORIDE ION, SODIUM ION | Authors: | Stein, A.J, Sather, A, Duggan, E, Moy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-08-31 | Release date: | 2009-09-08 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Crystal Structure of the C-terminal domain of the ATP-dependent DNA helicase RecQ from Porphyromonas gingivalis to 1.6A To be Published
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8CJI
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![BU of 8cji by Molmil](/molmil-images/mine/8cji) | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-07-052 | Descriptor: | FE (III) ION, Tryptophan 5-hydroxylase 1, methyl (2~{S})-2-azanyl-3-[[3-[[3-ethyl-2,6-bis(oxidanylidene)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]carbonylamino]propanoate | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | Deposit date: | 2023-02-13 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 66, 2023
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8CJJ
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![BU of 8cjj by Molmil](/molmil-images/mine/8cjj) | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-057 | Descriptor: | 3-ethyl-7-(phenylmethyl)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | Deposit date: | 2023-02-13 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.66415656 Å) | Cite: | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 66, 2023
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8C84
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![BU of 8c84 by Molmil](/molmil-images/mine/8c84) | Crystal structure of MADS-box/MEF2D N-terminal domain complex | Descriptor: | DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)-3'), MEF2D protein | Authors: | Chinellato, M, Carli, A, Perin, S, Mazzoccato, Y, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | Deposit date: | 2023-01-18 | Release date: | 2024-01-31 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA. J.Mol.Biol., 436, 2024
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4WYJ
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![BU of 4wyj by Molmil](/molmil-images/mine/4wyj) | Adenovirus 3 head domain mutant V239D | Descriptor: | Fiber protein, SULFATE ION | Authors: | Lieber, A, Zubieta, C, Fender, P. | Deposit date: | 2014-11-17 | Release date: | 2015-07-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Preclinical safety and efficacy studies with an affinity-enhanced epithelial junction opener and PEGylated liposomal doxorubicin. Mol Ther Methods Clin Dev, 2, 2015
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8CJN
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![BU of 8cjn by Molmil](/molmil-images/mine/8cjn) | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-070 | Descriptor: | 3-ethyl-7-[(4-phenylphenyl)methyl]-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | Deposit date: | 2023-02-13 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.68080938 Å) | Cite: | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 66, 2023
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5IFO
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![BU of 5ifo by Molmil](/molmil-images/mine/5ifo) | X-ray structure of HSA-Myr-KP1019 | Descriptor: | MYRISTIC ACID, RUTHENIUM ION, Serum albumin | Authors: | Bijelic, A, Theiner, S, Keppler, B.K, Rompel, A. | Deposit date: | 2016-02-26 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | X-ray Structure Analysis of Indazolium trans-[Tetrachlorobis(1H-indazole)ruthenate(III)] (KP1019) Bound to Human Serum Albumin Reveals Two Ruthenium Binding Sites and Provides Insights into the Drug Binding Mechanism. J.Med.Chem., 59, 2016
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5LPN
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![BU of 5lpn by Molmil](/molmil-images/mine/5lpn) | Structure of human Rab10 in complex with the bMERB domain of Mical-1 | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Protein-methionine sulfoxide oxidase MICAL1, ... | Authors: | Rai, A, Oprisko, A, Campos, J, Fu, Y, Friese, T, Itzen, A, Goody, R.S, Mueller, M.P, Gazdag, E.M. | Deposit date: | 2016-08-14 | Release date: | 2016-08-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | bMERB domains are bivalent Rab8 family effectors evolved by gene duplication. Elife, 5, 2016
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8HEW
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![BU of 8hew by Molmil](/molmil-images/mine/8hew) | Potato 14-3-3 St14f | Descriptor: | 14-3-3 protein, StFDL1 peptide | Authors: | Taoka, K, Kawahara, I, Shinya, S, Harada, K, Muranaka, T, Furuita, K, Nakagawa, A, Fujiwara, T, Tsuji, H, Kojima, C. | Deposit date: | 2022-11-08 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Multifunctional chemical inhibitors of the florigen activation complex discovered by structure-based high-throughput screening. Plant J., 112, 2022
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5IH4
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![BU of 5ih4 by Molmil](/molmil-images/mine/5ih4) | Human Casein Kinase 1 isoform delta apo (kinase domain) | Descriptor: | Casein kinase I isoform delta, S,R MESO-TARTARIC ACID, SULFATE ION, ... | Authors: | Ursu, A, Illich, D.J, Takemoto, Y, Porfetye, A.T, Zhang, M, Brockmeyer, A, Janning, P, Watanabe, N, Osada, H, Vetter, I.R, Ziegler, S, Schoeler, H.R, Waldmann, H. | Deposit date: | 2016-02-29 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Epiblastin A Induces Reprogramming of Epiblast Stem Cells Into Embryonic Stem Cells by Inhibition of Casein Kinase 1. Cell Chem Biol, 23, 2016
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4X92
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8P9E
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![BU of 8p9e by Molmil](/molmil-images/mine/8p9e) | Crystal structure of wild type p63-p73 heterotetramer (tetramerisation domain) in complex with darpin 1810 F11 | Descriptor: | Darpin 1810 F11, GLYCEROL, Isoform 2 of Tumor protein 63, ... | Authors: | Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-06-05 | Release date: | 2023-11-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | DARPins detect the formation of hetero-tetramers of p63 and p73 in epithelial tissues and in squamous cell carcinoma. Cell Death Dis, 14, 2023
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4Z2U
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![BU of 4z2u by Molmil](/molmil-images/mine/4z2u) | |
8OVA
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![BU of 8ova by Molmil](/molmil-images/mine/8ova) | |
4WW8
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![BU of 4ww8 by Molmil](/molmil-images/mine/4ww8) | Crystal structure of human carbonic anhydrase isozyme XII with 4-Propylthiobenzenesulfonamide | Descriptor: | 1,2-ETHANEDIOL, 4-(propylsulfanyl)benzenesulfonamide, Carbonic anhydrase 12, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2014-11-10 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry. Biophys.Chem., 205, 2015
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4X5S
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![BU of 4x5s by Molmil](/molmil-images/mine/4x5s) | The crystal structure of an alpha carbonic anhydrase from the extremophilic bacterium Sulfurihydrogenibium azorense. | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase (Carbonate dehydratase), ... | Authors: | De Simone, G, Alterio, V, Di Fiore, A. | Deposit date: | 2014-12-05 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of the most catalytically effective carbonic anhydrase enzyme known, SazCA from the thermophilic bacterium Sulfurihydrogenibium azorense. Bioorg.Med.Chem.Lett., 25, 2015
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3IPS
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![BU of 3ips by Molmil](/molmil-images/mine/3ips) | X-ray structure of benzisoxazole synthetic agonist bound to the LXR-alpha | Descriptor: | Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, SULFATE ION, ... | Authors: | Fradera, X, Vu, D, Nimz, O, Skene, R, Hosfield, D, Wijnands, R, Cooke, A.J, Haunso, A, King, A, Bennet, D.J, McGuire, R, Uitdehaag, J.C.M. | Deposit date: | 2009-08-18 | Release date: | 2010-06-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling. J.Mol.Biol., 399, 2010
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8H55
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![BU of 8h55 by Molmil](/molmil-images/mine/8h55) | The structure of zebrafish angiotensinogen | Descriptor: | Angiotensinogen, SULFATE ION | Authors: | Zhou, A, Wei, H. | Deposit date: | 2022-10-12 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | BIOLOGICAL IMPLICATIONS OF A 2 ANGSTROMS STRUCTURE OF DIMERIC ANGIOTENSINOGEN To Be Published
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