5FOE
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![BU of 5foe by Molmil](/molmil-images/mine/5foe) | Crystal structure of the C. elegans Protein O-fucosyltransferase 2 (CePOFUT2) double mutant (R298K-R299K) in complex with GDP and the human TSR1 from thrombospondin 1 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP-fucose protein O-fucosyltransferase 2,Thrombospondin-1, ... | Authors: | Valero-Gonzalez, J, Leonhard-Melief, C, Lira-Navarrete, E, Jimenez-Oses, G, Hernandez-Ruiz, C, Pallares, M.C, Yruela, I, Vasudevan, D, Lostao, A, Corzana, F, Takeuchi, H, Haltiwanger, R.S, Hurtado-Guerrero, R. | Deposit date: | 2015-11-19 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | A Proactive Role of Water Molecules in Acceptor Recognition of Thrombospondin Type 1 Repeats by Protein-O-Fucosyltransferase 2 Nat.Chem.Biol., 12, 2016
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5EGP
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![BU of 5egp by Molmil](/molmil-images/mine/5egp) | Crystal structure of the S-methyltransferase TmtA | Descriptor: | ACETATE ION, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | Authors: | Duell, E.R, Glaser, M, Antes, I, Groll, M, Huber, E.M. | Deposit date: | 2015-10-27 | Release date: | 2016-02-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Sequential Inactivation of Gliotoxin by the S-Methyltransferase TmtA. Acs Chem.Biol., 11, 2016
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6THB
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![BU of 6thb by Molmil](/molmil-images/mine/6thb) | Receptor binding domain of the Cedar Virus attachment glycoprotein (G) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Attachment glycoprotein | Authors: | Pryce, R, Rissanen, I, Harlos, K, Bowden, T. | Deposit date: | 2019-11-19 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | A key region of molecular specificity orchestrates unique ephrin-B1 utilization by Cedar virus. Life Sci Alliance, 3, 2020
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5I8M
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![BU of 5i8m by Molmil](/molmil-images/mine/5i8m) | Bicyclic antimibrocial peptides | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, DLS-LYS-CYS-LYS-LEU-CYS-LEU-LYS-NH2, ... | Authors: | Di Bonaventura, I, Jin, X, Visini, R, Michaud, G, Robadey, M, Koehler, T, van Delden, C, Stocker, A, Darbre, T, Reymond, J.-L. | Deposit date: | 2016-02-19 | Release date: | 2017-08-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Chemical space guided discovery of antimicrobial bridged bicyclic peptides against Pseudomonas aeruginosa and its biofilms. Chem Sci, 8, 2017
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7VO7
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![BU of 7vo7 by Molmil](/molmil-images/mine/7vo7) | Crystal structure of trypsin in complex with Lima bean trypsin inhibitor at 2.25A resolution. | Descriptor: | Bowman-Birk type proteinase inhibitor, CALCIUM ION, CHLORIDE ION, ... | Authors: | Ahmad, M.S, Akbar, Z, Choudhary, M.I. | Deposit date: | 2021-10-12 | Release date: | 2022-08-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Insight into the structural basis of the dual inhibitory mode of Lima bean (Phaseolus lunatus) serine protease inhibitor. Proteins, 91, 2023
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5IJV
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![BU of 5ijv by Molmil](/molmil-images/mine/5ijv) | Crystal structure of bovine Fab E03 | Descriptor: | bovine Fab E03 heavy chain, bovine Fab E03 light chain | Authors: | Stanfield, R.L, Wilson, I.A. | Deposit date: | 2016-03-02 | Release date: | 2016-10-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Conservation and diversity in the ultralong third heavy-chain complementarity-determining region of bovine antibodies. Sci Immunol, 1, 2016
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6TNO
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![BU of 6tno by Molmil](/molmil-images/mine/6tno) | Crystal structure of the human Arc N-lobe bound to stargazin | Descriptor: | Arc_C domain-containing protein, Chains: B,D,F | Authors: | Hallin, E.I, Bramham, C.R, Kursula, P. | Deposit date: | 2019-12-09 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural properties and peptide ligand binding of the capsid homology domains of human Arc. Biochem Biophys Rep, 26, 2021
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5EKC
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![BU of 5ekc by Molmil](/molmil-images/mine/5ekc) | Thermostable aldehyde dehydrogenase from Pyrobaculum sp.1860 complexed with NADP+ | Descriptor: | Aldehyde dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Petrova, T, Bezsudnova, E.Y, Boyko, K.M, Nikolaeva, A.Y, Rakitina, T.V, Shabalin, I.G, Popov, V.O. | Deposit date: | 2015-11-03 | Release date: | 2016-11-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.895 Å) | Cite: | Structure of thermostable aldehyde dehydrogenase from Pyrobaculum sp.1860 complexed with NADP+ To Be Published
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6QOY
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![BU of 6qoy by Molmil](/molmil-images/mine/6qoy) | Crystal structure of L1 protease Lysobacter sp. XL1 in complex with AEBSF | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, 4-(2-azanylethyl)benzenesulfonic acid, CHLORIDE ION, ... | Authors: | Gabdulkhakov, A, Tishchenko, S, Kudryakova, I, Afoshin, A, Vasilyeva, N. | Deposit date: | 2019-02-13 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Serine bacteriolytic protease L1 of Lysobacter sp. XL1 complexed with protease inhibitor AEBSF: features of interaction Process Biochem, 2019
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2DQ4
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![BU of 2dq4 by Molmil](/molmil-images/mine/2dq4) | Crystal structure of threonine 3-dehydrogenase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, L-threonine 3-dehydrogenase, ZINC ION | Authors: | Omi, R, Yao, T, Goto, M, Miyahara, I, Hirotsu, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-05-19 | Release date: | 2007-06-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of threonine 3-dehydrogenase To be Published
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1RU9
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![BU of 1ru9 by Molmil](/molmil-images/mine/1ru9) | Crystal Structure (A) of u.v.-irradiated cationic cyclization antibody 4C6 Fab at pH 4.6 with a data set collected in-house. | Descriptor: | ACETATE ION, BENZOIC ACID, GLYCEROL, ... | Authors: | Zhu, X, Wentworth Jr, P, Wentworth, A.D, Eschenmoser, A, Lerner, R.A, Wilson, I.A. | Deposit date: | 2003-12-11 | Release date: | 2004-03-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Probing the antibody-catalyzed water-oxidation pathway at atomic resolution. Proc.Natl.Acad.Sci.USA, 110, 2004
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7D5B
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![BU of 7d5b by Molmil](/molmil-images/mine/7d5b) | BACE2 xaperone complex with N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-5,6-dihydro-2H-1lambda6,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide | Descriptor: | 1,2-ETHANEDIOL, Beta-secretase 2, CHLORIDE ION, ... | Authors: | Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | Deposit date: | 2020-09-25 | Release date: | 2021-03-31 | Last modified: | 2021-04-07 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2. J.Med.Chem., 64, 2021
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2DG1
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![BU of 2dg1 by Molmil](/molmil-images/mine/2dg1) | Crystal structure of Drp35, a 35kDa drug responsive protein from Staphylococcus aureus, complexed with Ca2+ | Descriptor: | CALCIUM ION, DrP35, GLYCEROL | Authors: | Tanaka, Y, Ohki, Y, Morikawa, K, Yao, M, Watanabe, N, Ohta, T, Tanaka, I. | Deposit date: | 2006-03-07 | Release date: | 2006-12-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structural and Mutational Analyses of Drp35 from Staphylococcus aureus: A POSSIBLE MECHANISM FOR ITS LACTONASE ACTIVITY J.Biol.Chem., 282, 2007
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5ZIA
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![BU of 5zia by Molmil](/molmil-images/mine/5zia) | |
1RUK
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![BU of 1ruk by Molmil](/molmil-images/mine/1ruk) | Crystal structure (C) of native cationic cyclization antibody 4C6 fab at pH 4.6 with a data set collected at SSRL beamline 9-1 | Descriptor: | ACETATE ION, BENZOIC ACID, GLYCEROL, ... | Authors: | Zhu, X, Wentworth Jr, P, Wentworth, A.D, Eschenmoser, A, Lerner, R.A, Wilson, I.A. | Deposit date: | 2003-12-11 | Release date: | 2004-03-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Probing the antibody-catalyzed water-oxidation pathway at atomic resolution. Proc.Natl.Acad.Sci.USA, 110, 2004
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4PZ1
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![BU of 4pz1 by Molmil](/molmil-images/mine/4pz1) | Crystal structure of a sHIP (UniProt Id: Q99XU0) mutant from Streptococcus pyogenes | Descriptor: | CALCIUM ION, CHLORIDE ION, sHIP | Authors: | Wisniewska, M, Happonen, L, Frick, I.-M, Bjorck, L, Streicher, W, Malmstrom, J, Wikstrom, M. | Deposit date: | 2014-03-28 | Release date: | 2015-03-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Functional and structural properties of a novel protein and virulence factor (Protein sHIP) in Streptococcus pyogenes. J.Biol.Chem., 289, 2014
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2A68
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![BU of 2a68 by Molmil](/molmil-images/mine/2a68) | Crystal structure of the T. thermophilus RNA polymerase holoenzyme in complex with antibiotic rifabutin | Descriptor: | DNA-directed RNA polymerase alpha chain, DNA-directed RNA polymerase beta chain, DNA-directed RNA polymerase beta' chain, ... | Authors: | Artsimovitch, I, Vassylyeva, M.N, Svetlov, D, Svetlov, V, Perederina, A, Igarashi, N, Matsugaki, N, Wakatsuki, S, Tahirov, T.H, Vassylyev, D.G, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-07-01 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Allosteric modulation of the RNA polymerase catalytic reaction is an essential component of transcription control by rifamycins. Cell(Cambridge,Mass.), 122, 2005
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3Q93
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![BU of 3q93 by Molmil](/molmil-images/mine/3q93) | Crystal Structure of Human 8-oxo-dGTPase (MTH1) | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, IMIDAZOLE, ... | Authors: | Tresaugues, L, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Thorsell, A.G, Van Der Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2011-01-07 | Release date: | 2011-03-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Human 8-oxo-dGTPase (MTH1) To be Published
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5HD1
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![BU of 5hd1 by Molmil](/molmil-images/mine/5hd1) | Crystal structure of antimicrobial peptide Pyrrhocoricin bound to the Thermus thermophilus 70S ribosome | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Gagnon, M.G, Roy, R.N, Lomakin, I.B, Florin, T, Mankin, A.S, Steitz, T.A. | Deposit date: | 2016-01-04 | Release date: | 2016-04-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structures of proline-rich peptides bound to the ribosome reveal a common mechanism of protein synthesis inhibition. Nucleic Acids Res., 44, 2016
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6UZ7
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![BU of 6uz7 by Molmil](/molmil-images/mine/6uz7) | K.lactis 80S ribosome with p/PE tRNA and eIF5B | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0, ... | Authors: | Fernandez, I.S, Huang, B.Y. | Deposit date: | 2019-11-14 | Release date: | 2020-01-15 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Long-range interdomain communications in eIF5B regulate GTP hydrolysis and translation initiation. Proc.Natl.Acad.Sci.USA, 117, 2020
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6V3O
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![BU of 6v3o by Molmil](/molmil-images/mine/6v3o) | |
6JSN
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![BU of 6jsn by Molmil](/molmil-images/mine/6jsn) | Crystal Structure of BACE1 in complex with N-{3-[(5R)-3-amino-5-methyl-9,9-dioxo-2,9lambda6-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I. | Deposit date: | 2019-04-08 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2. J.Med.Chem., 62, 2019
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6HG7
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![BU of 6hg7 by Molmil](/molmil-images/mine/6hg7) | Crystal structure of a collagen II fragment containing the binding site of PEDF and COMP, (POG)4-LKG HRG FTG LQG-POG(4) | Descriptor: | Collagen alpha-1(II) chain, SULFATE ION | Authors: | Gebauer, J.M, Koehler, A, Dietmar, H, Gompert, M, Neundorf, I, Zaucke, F, Koch, M, Baumann, U. | Deposit date: | 2018-08-22 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | COMP and TSP-4 interact specifically with the novel GXKGHR motif only found in fibrillar collagens. Sci Rep, 8, 2018
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6B5Z
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![BU of 6b5z by Molmil](/molmil-images/mine/6b5z) | IMPase (AF2372) with 25 mM Asp | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, ASPARTIC ACID, Fructose-1,6-bisphosphatase/inositol-1-monophosphatase, ... | Authors: | Goldstein, R.I, Roberts, M. | Deposit date: | 2017-10-01 | Release date: | 2018-10-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Osmolyte binding capacity of a dual action IMPase/FBPase (AF2372) To Be Published
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6HHF
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![BU of 6hhf by Molmil](/molmil-images/mine/6hhf) | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor Borussertib | Descriptor: | Borussertib, RAC-alpha serine/threonine-protein kinase | Authors: | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | Deposit date: | 2018-08-28 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Preclinical Efficacy of Covalent-Allosteric AKT Inhibitor Borussertib in Combination with Trametinib inKRAS-Mutant Pancreatic and Colorectal Cancer. Cancer Res., 79, 2019
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