4YTG
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![BU of 4ytg by Molmil](/molmil-images/mine/4ytg) | Crystal structure of Porphyromonas gingivalis peptidylarginine deiminase (PPAD) mutant C351A in complex with dipeptide Met-Arg. | Descriptor: | ARGININE, AZIDE ION, CHLORIDE ION, ... | Authors: | Goulas, T, Mizgalska, D, Garcia-Ferrer, I, Kantyka, T, Guevara, T, Szmigielski, B, Sroka, A, Millan, C, Uson, I, Veillard, F, Potempa, B, Mydel, P, Sola, M, Potempa, J, Gomis-Ruth, F.X. | Deposit date: | 2015-03-17 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and mechanism of a bacterial host-protein citrullinating virulence factor, Porphyromonas gingivalis peptidylarginine deiminase. Sci Rep, 5, 2015
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1HH1
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![BU of 1hh1 by Molmil](/molmil-images/mine/1hh1) | THE STRUCTURE OF HJC, A HOLLIDAY JUNCTION RESOLVING ENZYME FROM SULFOLOBUS SOLFATARICUS | Descriptor: | HOLLIDAY JUNCTION RESOLVING ENZYME HJC | Authors: | Bond, C.S, Kvaratskhelia, M, Richard, D, White, M.F, Hunter, W.N. | Deposit date: | 2000-12-18 | Release date: | 2001-04-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of Hjc, a Holliday Junction Resolvase, from Sulfolobus Solfataricus Proc.Natl.Acad.Sci.USA, 98, 2001
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6QED
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![BU of 6qed by Molmil](/molmil-images/mine/6qed) | CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX; WITH AN INHIBITOR (S)-3-Hydroxy-2-oxo-1-(2-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-pyrrolidine-3-carboxylic acid 3-chloro-5-fluoro-benzylamide | Descriptor: | (3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | Authors: | Musil, D, Heinrich, T, Lehmann, M. | Deposit date: | 2019-01-07 | Release date: | 2019-05-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors. J.Med.Chem., 62, 2019
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1U7O
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![BU of 1u7o by Molmil](/molmil-images/mine/1u7o) | Magnesium Dependent Phosphatase 1 (MDP-1) | Descriptor: | ACETATE ION, magnesium-dependent phosphatase-1 | Authors: | Peisach, E, Selengut, J.D, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2004-08-04 | Release date: | 2004-10-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray crystal structure of the hypothetical phosphotyrosine phosphatase MDP-1 of the haloacid dehalogenase superfamily Biochemistry, 43, 2004
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6QBQ
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![BU of 6qbq by Molmil](/molmil-images/mine/6qbq) | structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S200A S203A | Descriptor: | Cell wall assembly regulator SMI1 | Authors: | Guillien, M, Batista, M, Francois, J.M, Mourey, L, Maveyraud, L, Zerbib, D. | Deposit date: | 2018-12-21 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S200A S203A To Be Published
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4PSO
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![BU of 4pso by Molmil](/molmil-images/mine/4pso) | Crystal structure of apeThermo-DBP-RP2 bound to ssDNA dT10 | Descriptor: | PHOSPHATE ION, polydeoxyribonucleotide, ssDNA binding protein | Authors: | Gahlei, H, von Moeller, H, Eppers, D, Loll, B, Wahl, M.C. | Deposit date: | 2014-03-07 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Entrapment of DNA in an intersubunit tunnel system of a single-stranded DNA-binding protein. Nucleic Acids Res., 42, 2014
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6QLG
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![BU of 6qlg by Molmil](/molmil-images/mine/6qlg) | Crystal structure of AnUbiX (PadA1) in complex with FMN and dimethylallyl pyrophosphate | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYLALLYL DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, ... | Authors: | Marshall, S.A, Payne, K.A.P, Leys, D. | Deposit date: | 2019-02-01 | Release date: | 2019-06-05 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry. Nat Commun, 10, 2019
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6QLK
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![BU of 6qlk by Molmil](/molmil-images/mine/6qlk) | Crystal structure of F181H UbiX in complex with prFMN | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Flavin prenyltransferase UbiX, PHOSPHATE ION, ... | Authors: | Marshall, S.A, Leys, D. | Deposit date: | 2019-02-01 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry. Nat Commun, 10, 2019
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6QDW
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![BU of 6qdw by Molmil](/molmil-images/mine/6qdw) | Cryo-EM structure of the 50S ribosomal subunit at 2.83 Angstroms with modeled GBC SecM peptide | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Schulte, L, Reitz, J, Hodirnau, V.V, Kudlinzki, D, Mao, J, Glaubitz, C, Frangakis, A, Schwalbe, H. | Deposit date: | 2019-01-03 | Release date: | 2020-01-15 | Last modified: | 2020-12-02 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Cysteine oxidation and disulfide formation in the ribosomal exit tunnel. Nat Commun, 11, 2020
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1I16
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![BU of 1i16 by Molmil](/molmil-images/mine/1i16) | STRUCTURE OF INTERLEUKIN 16: IMPLICATIONS FOR FUNCTION, NMR, 20 STRUCTURES | Descriptor: | INTERLEUKIN 16 | Authors: | Muehlhahn, P, Zweckstetter, M, Georgescu, J, Ciosto, C, Renner, C, Lanzendoerfer, M, Lang, K, Ambrosius, D, Baier, M, Kurth, R, Holak, T.A. | Deposit date: | 1998-05-20 | Release date: | 1999-05-25 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of interleukin 16 resembles a PDZ domain with an occluded peptide binding site. Nat.Struct.Biol., 5, 1998
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6QDK
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1RNA
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![BU of 1rna by Molmil](/molmil-images/mine/1rna) | CRYSTALLOGRAPHIC STRUCTURE OF AN RNA HELIX: [U(U-A)6A]2 | Descriptor: | RNA (5'-R(*UP*UP*AP*UP*AP*UP*AP*UP*AP*UP*AP*UP*AP*A)-3') | Authors: | Dock-Bregeon, A.C, Chevrier, B, Podjarny, A, Johnson, J, De Bear, J.S, Gough, G.R, Gilham, P.T, Moras, D. | Deposit date: | 1990-02-01 | Release date: | 1991-04-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystallographic structure of an RNA helix: [U(UA)6A]2. J.Mol.Biol., 209, 1989
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1GU3
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![BU of 1gu3 by Molmil](/molmil-images/mine/1gu3) | CBM4 structure and function | Descriptor: | ENDOGLUCANASE C, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Nurizzo, D, Notenboom, V, Davies, G.J. | Deposit date: | 2002-01-22 | Release date: | 2002-09-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Differential Oligosaccharide Recognition by Evolutionarily-Related Beta-1,4 and Beta-1,3 Glucan-Binding Modules J.Mol.Biol., 319, 2002
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6QFT
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![BU of 6qft by Molmil](/molmil-images/mine/6qft) | Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidin 1b | Descriptor: | 1-[(3~{R})-3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 | Authors: | Wolle, P, Mueller, M.P, Rauh, D. | Deposit date: | 2019-01-10 | Release date: | 2019-05-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7). J.Med.Chem., 62, 2019
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4X3J
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![BU of 4x3j by Molmil](/molmil-images/mine/4x3j) | Selection of fragments for kinase inhibitor design: decoration is key | Descriptor: | 1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea, Angiopoietin-1 receptor | Authors: | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | Deposit date: | 2014-11-30 | Release date: | 2014-12-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Selection of fragments for kinase inhibitor design: decoration is key. J.Med.Chem., 58, 2015
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3QD3
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![BU of 3qd3 by Molmil](/molmil-images/mine/3qd3) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl {(3R,6S)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-3-piperidinyl}carbamate | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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1H30
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![BU of 1h30 by Molmil](/molmil-images/mine/1h30) | C-terminal LG domain pair of human Gas6 | Descriptor: | CALCIUM ION, GROWTH-ARREST-SPECIFIC PROTEIN, SULFATE ION | Authors: | Sasaki, T, Knyazev, P.G, Cheburkin, Y, Gohring, W, Tisi, D, Ullrich, A, Timpl, R, Hohenester, E. | Deposit date: | 2002-08-21 | Release date: | 2003-01-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of a Carboxy-Terminal Fragment of Growth-Arrest-Specific Protein Gas6: Receptor Tyrosine Kinase Activation by Laminin G-Like Domains J.Biol.Chem., 277, 2002
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4X4Z
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![BU of 4x4z by Molmil](/molmil-images/mine/4x4z) | |
4PSM
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![BU of 4psm by Molmil](/molmil-images/mine/4psm) | Crystal structure of pfuThermo-DBP-RP1 (crystal form II) | Descriptor: | SULFATE ION, ssDNA binding protein | Authors: | Gahlei, H, von Moeller, H, Eppers, D, Loll, B, Wahl, M.C. | Deposit date: | 2014-03-07 | Release date: | 2014-04-30 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Entrapment of DNA in an intersubunit tunnel system of a single-stranded DNA-binding protein. Nucleic Acids Res., 42, 2014
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1HCD
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![BU of 1hcd by Molmil](/molmil-images/mine/1hcd) | STRUCTURE OF HISACTOPHILIN IS SIMILAR TO INTERLEUKIN-1 BETA AND FIBROBLAST GROWTH FACTOR | Descriptor: | HISACTOPHILIN | Authors: | Habazettl, J, Gondol, D, Wiltscheck, R, Otlewski, J, Schleicher, M, Holak, T.A. | Deposit date: | 1994-05-03 | Release date: | 1994-10-15 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure of hisactophilin is similar to interleukin-1 beta and fibroblast growth factor. Nature, 359, 1992
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1H6G
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![BU of 1h6g by Molmil](/molmil-images/mine/1h6g) | alpha-catenin M-domain | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ALPHA-1 CATENIN, CALCIUM ION, ... | Authors: | Yang, J, Dokurno, P, Tonks, N.K, Barford, D. | Deposit date: | 2001-06-14 | Release date: | 2001-08-07 | Last modified: | 2016-02-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the M-Fragment of Alpha-Catenin: Implications for Modulation of Cell Adhesion. Embo J., 20, 2001
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1H9C
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![BU of 1h9c by Molmil](/molmil-images/mine/1h9c) | NMR structure of cysteinyl-phosphorylated enzyme IIB of the N,N'-diacetylchitobiose specific phosphoenolpyruvate-dependent phosphotransferase system of Escherichia coli. | Descriptor: | PTS SYSTEM, CHITOBIOSE-SPECIFIC IIB COMPONENT | Authors: | Ab, E, Schuurman-Wolters, G.K, Nijlant, D, Dijkstra, K, Saier, M.H, Robillard, G.T, Scheek, R.M. | Deposit date: | 2001-03-07 | Release date: | 2001-05-21 | Last modified: | 2018-01-31 | Method: | SOLUTION NMR | Cite: | NMR Structure of Cysteinyl-Phosphorylated Enzyme Iib of the N,N'-Diacetylchitobiose Specific Phosphoenolpyruvate-Dependentphosphotransferase System of Escherichia Coli J.Mol.Biol., 308, 2001
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4PSN
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![BU of 4psn by Molmil](/molmil-images/mine/4psn) | Crystal structure of apeThermo-DBP-RP2 | Descriptor: | GLYCEROL, IMIDAZOLE, ssDNA binding protein | Authors: | Gahlei, H, von Moeller, H, Eppers, D, Loll, B, Wahl, M.C. | Deposit date: | 2014-03-07 | Release date: | 2014-04-30 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Entrapment of DNA in an intersubunit tunnel system of a single-stranded DNA-binding protein. Nucleic Acids Res., 42, 2014
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1H4J
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![BU of 1h4j by Molmil](/molmil-images/mine/1h4j) | Methylobacterium extorquens methanol dehydrogenase D303E mutant | Descriptor: | CALCIUM ION, Methanol dehydrogenase [cytochrome c] subunit 1, Methanol dehydrogenase [cytochrome c] subunit 2, ... | Authors: | Mohammed, F, Gill, R, Thompson, D, Cooper, J.B, Wood, S.P, Afolabi, P.R, Anthony, C. | Deposit date: | 2001-05-11 | Release date: | 2001-08-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Site-Directed Mutagenesis and X-Ray Crystallography of the Pqq-Containing Quinoprotein Methanol Dehydrogenase and its Electron Acceptor, Cytochrome C(L)(,) Biochemistry, 40, 2001
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1H29
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![BU of 1h29 by Molmil](/molmil-images/mine/1h29) | Sulfate respiration in Desulfovibrio vulgaris Hildenborough: Structure of the 16-heme Cytochrome c HmcA at 2.5 A resolution and a view of its role in transmembrane electron transfer | Descriptor: | HEME C, HIGH-MOLECULAR-WEIGHT CYTOCHROME C | Authors: | Matias, P.M, Coelho, A.V, Valente, F.M.A, Placido, D, Legall, J, Xavier, A.V, Pereira, I.A.C, Carrondo, M.A. | Deposit date: | 2002-08-01 | Release date: | 2002-10-02 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Sulfate Respiration in Desulfovibrio Vulgaris Hildenborough: Structure of the 16-Heme Cytochrome C Hmca at 2.5 A Resolution and a View of its Role in Transmembrane Electron Transfer J.Biol.Chem., 277, 2002
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