3KNG
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![BU of 3kng by Molmil](/molmil-images/mine/3kng) | Crystal structure of SnoaB, a cofactor-independent oxygenase from Streptomyces nogalater, determined to 1.9 resolution | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ... | Authors: | Koskiniemi, H, Grocholski, T, Lindqvist, Y, Mantsala, P, Niemi, J, Schneider, G. | Deposit date: | 2009-11-12 | Release date: | 2010-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the cofactor-independent monooxygenase SnoaB from Streptomyces nogalater: implications for the reaction mechanism Biochemistry, 49, 2010
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1HXM
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![BU of 1hxm by Molmil](/molmil-images/mine/1hxm) | Crystal Structure of a Human Vgamma9/Vdelta2 T Cell Receptor | Descriptor: | GAMMA-DELTA T-CELL RECEPTOR, SULFATE ION | Authors: | Allison, T.J, Winter, C.C, Fournie, J.J, Bonneville, M, Garboczi, D.N. | Deposit date: | 2001-01-16 | Release date: | 2001-06-20 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Structure of a human gammadelta T-cell antigen receptor. Nature, 411, 2001
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5L0A
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![BU of 5l0a by Molmil](/molmil-images/mine/5l0a) | Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state in complex with fructose-1,6-bisphosphate | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2 | Authors: | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | Deposit date: | 2016-07-27 | Release date: | 2017-08-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Structural studies of human muscle FBPase To Be Published
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6QUD
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![BU of 6qud by Molmil](/molmil-images/mine/6qud) | 2-deoxy-galactose reaction intermediate of a Truncated beta-galactosidase III from Bifidobacterium bifidum | Descriptor: | 2-deoxy-alpha-D-galactopyranose, Beta-galactosidase, CALCIUM ION | Authors: | Thirup, S.S, Nielsen, J.A, Andersen, J.L, Alsarraf, H, Blaise, M. | Deposit date: | 2019-02-27 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Truncated beta-galactosidase III from Bifidobacterium bifidum To Be Published
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2Y0J
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![BU of 2y0j by Molmil](/molmil-images/mine/2y0j) | Triazoloquinazolines as a novel class of phosphodiesterase 10A (PDE10A) inhibitors, part 2, Lead-optimisation. | Descriptor: | 5-(1H-BENZIMIDAZOL-2-YLMETHYLSULFANYL)-2-METHYL-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLINE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | Authors: | Kehler, J, Ritzen, A, Langgard, M, Petersen, S.L, Christoffersen, C.T, Nielsen, J, Kilburn, J.P. | Deposit date: | 2010-12-03 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Triazoloquinazolines as a Novel Class of Phosphodiesterase 10A (Pde10A) Inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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4FMN
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![BU of 4fmn by Molmil](/molmil-images/mine/4fmn) | Structure of the C-terminal domain of the Saccharomyces cerevisiae MUTL alpha (MLH1/PMS1) heterodimer bound to a fragment of NTG2 | Descriptor: | 1,2-ETHANEDIOL, DNA mismatch repair protein MLH1, DNA mismatch repair protein PMS1, ... | Authors: | Gueneau, E, Legrand, P, Charbonnier, J.B. | Deposit date: | 2012-06-18 | Release date: | 2013-02-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structure of the MutL alpha C-terminal domain reveals how Mlh1 contributes to Pms1 endonuclease site. Nat.Struct.Mol.Biol., 20, 2013
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7CJV
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![BU of 7cjv by Molmil](/molmil-images/mine/7cjv) | Solution structure of monomeric superoxide dismutase 1 with an additional mutation H46W in a dilute environment | Descriptor: | Monomeric Human Cu,Zn Superoxide dismutase | Authors: | Iwakawa, N, Morimoto, D, Walinda, E, Danielsson, J, Shirakawa, M, Sugase, K. | Deposit date: | 2020-07-14 | Release date: | 2021-05-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Transient Diffusive Interactions with a Protein Crowder Affect Aggregation Processes of Superoxide Dismutase 1 beta-Barrel. J.Phys.Chem.B, 125, 2021
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7CJW
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![BU of 7cjw by Molmil](/molmil-images/mine/7cjw) | Solution structure of monomeric superoxide dismutase 1 with an additional mutation H46W in a crowded environment | Descriptor: | Monomeric Human Cu,Zn Superoxide dismutase | Authors: | Iwakawa, N, Morimoto, D, Walinda, E, Danielsson, J, Shirakawa, M, Sugase, K. | Deposit date: | 2020-07-14 | Release date: | 2021-05-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Transient Diffusive Interactions with a Protein Crowder Affect Aggregation Processes of Superoxide Dismutase 1 beta-Barrel. J.Phys.Chem.B, 125, 2021
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4USZ
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![BU of 4usz by Molmil](/molmil-images/mine/4usz) | Crystal structure of the first bacterial vanadium dependant iodoperoxidase | Descriptor: | SODIUM ION, VANADATE ION, VANADIUM-DEPENDENT HALOPEROXIDASE | Authors: | Rebuffet, E, Delage, L, Fournier, J.B, Rzonca, J, Potin, P, Michel, G, Czjzek, M, Leblanc, C. | Deposit date: | 2014-07-17 | Release date: | 2014-10-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Bacterial Vanadium Iodoperoxidase from the Marine Flavobacteriaceae Zobellia Galactanivorans Reveals Novel Molecular and Evolutionary Features of Halide Specificity in This Enzyme Family. Appl.Environ.Microbiol., 80, 2014
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5KVT
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![BU of 5kvt by Molmil](/molmil-images/mine/5kvt) | THE STRUCTURE OF TRKA KINASE DOMAIN BOUND TO THE INHIBITOR ENTRECTINIB | Descriptor: | Entrectinib, GLYCEROL, High affinity nerve growth factor receptor | Authors: | Jin, L, Yan, S, Wei, G, Li, G, Harris, J, Vernier, J.-M. | Deposit date: | 2016-07-15 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Antitumor Activity and Safety of the Pan-TRK, ROS1, and ALK inhibitor Entrectinib (RXDX-101): Combined Results from Two Phase I Trials To Be Published
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1HV1
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![BU of 1hv1 by Molmil](/molmil-images/mine/1hv1) | DISSECTING ELECTROSTATIC INTERACTIONS AND THE PH-DEPENDENT ACTIVITY OF A FAMILY 11 GLYCOSIDASE | Descriptor: | ENDO-1,4-BETA-XYLANASE | Authors: | Joshi, M.D, Sidhu, G, Nielsen, J.E, Brayer, G.D, Withers, S.G, McIntosh, L.P. | Deposit date: | 2001-01-05 | Release date: | 2001-09-14 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Dissecting the electrostatic interactions and pH-dependent activity of a family 11 glycosidase. Biochemistry, 40, 2001
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5X08
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![BU of 5x08 by Molmil](/molmil-images/mine/5x08) | Crystal structure of broadly neutralizing anti-HIV-1 antibody 4E10, mutant Npro, with peptide bound | Descriptor: | ACETATE ION, CHLORIDE ION, Envelope glycoprotein gp160, ... | Authors: | Caaveiro, J.M.M, Rujas, E, Nieva, J.L, Tsumoto, K. | Deposit date: | 2017-01-20 | Release date: | 2017-04-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Functional Contacts between MPER and the Anti-HIV-1 Broadly Neutralizing Antibody 4E10 Extend into the Core of the Membrane J. Mol. Biol., 429, 2017
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7EKB
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![BU of 7ekb by Molmil](/molmil-images/mine/7ekb) | Crystal structure of 4E10 modified with pyrene acetamide | Descriptor: | ACETATE ION, Fab region of the heavy chain of broadly neutralizing antibody anti-HIV-1 4E10, Fab region of the light chain of the broadly neutralizing anti-HIV-1 antibody 4E10, ... | Authors: | Caaveiro, J.M.M, Rujas, E, Nieva, J.L. | Deposit date: | 2021-04-05 | Release date: | 2021-08-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Focal accumulation of aromaticity at the CDRH3 loop mitigates 4E10 polyreactivity without altering its HIV neutralization profile. Iscience, 24, 2021
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7EKK
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![BU of 7ekk by Molmil](/molmil-images/mine/7ekk) | Anti-HIV-1 broadly neutralizing antibody delta-loop 4E10 modified with pyrene acetamide | Descriptor: | AMMONIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Caaveiro, J.M.M, Rujas, E, Nieva, J.L. | Deposit date: | 2021-04-05 | Release date: | 2021-08-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Focal accumulation of aromaticity at the CDRH3 loop mitigates 4E10 polyreactivity without altering its HIV neutralization profile. Iscience, 24, 2021
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3UFA
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![BU of 3ufa by Molmil](/molmil-images/mine/3ufa) | Crystal structure of the staphylococcal serine protease SplA in complex with a specific phosphonate inhibitor | Descriptor: | CHLORIDE ION, N-(3-carboxypropanoyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]-L-prolinamide, Serine protease splA | Authors: | Zdzalik, M, Pietrusewicz, E, Pustelny, K, Stec-Niemczyk, J, Popowicz, G.M, Potempa, J, Oleksyszyn, J, Dubin, G. | Deposit date: | 2011-10-31 | Release date: | 2013-01-23 | Last modified: | 2014-03-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development and binding characteristics of phosphonate inhibitors of SplA protease from Staphylococcus aureus. Protein Sci., 23, 2014
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2VID
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![BU of 2vid by Molmil](/molmil-images/mine/2vid) | Serine protease SplB from Staphylococcus aureus at 1.8A resolution | Descriptor: | SERINE PROTEASE SPLB | Authors: | Dubin, G, Stec-Niemczyk, J, Kisielewska, M, Pustelny, K, Popowicz, G.M, Bista, M, Kantyka, T, Boulware, K.T, Stennicke, H.R, Czarna, A, Phopaisarn, M, Daugherty, P.S, Thogersen, I.B, Enghild, J.J, Thornberry, N, Dubin, A, Potempa, J. | Deposit date: | 2007-11-30 | Release date: | 2008-05-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Enzymatic Activity of the Staphylococcus Aureus Splb Serine Protease is Induced by Substrates Containing the Sequence Trp-Glu-Leu-Gln. J.Mol.Biol., 379, 2008
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2W7S
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![BU of 2w7s by Molmil](/molmil-images/mine/2w7s) | SplA serine protease of Staphylococcus aureus (1.8A) | Descriptor: | SERINE PROTEASE SPLA | Authors: | Stec-Niemczyka, J, Pustelny, K, Kisielewska, M, Bista, M, Boulware, K.T, Stennicke, H.R, Thogersen, I.B, Daugherty, P.S, Enghild, J.J, Popowicz, G.M, Dubin, A, Potempa, J, Dubin, G. | Deposit date: | 2008-12-30 | Release date: | 2010-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Functional Characterization of Spla, an Exclusively Specific Protease of Staphylococcus Aureus Biochem.J., 419, 2009
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2W7U
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![BU of 2w7u by Molmil](/molmil-images/mine/2w7u) | SplA serine protease of Staphylococcus aureus (2.4A) | Descriptor: | SERINE PROTEASE SPLA | Authors: | Stec-Niemczyka, J, Pustelny, K, Kisielewska, M, Bista, M, Boulware, K.T, Stennicke, H.R, Thogersen, I.B, Daugherty, P.S, Enghild, J.J, Popowicz, G.M, Dubin, A, Potempa, J, Dubin, G. | Deposit date: | 2008-12-30 | Release date: | 2010-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural and Functional Characterization of Spla, an Exclusively Specific Protease of Staphylococcus Aureus. Biochem.J., 419, 2009
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5VFX
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![BU of 5vfx by Molmil](/molmil-images/mine/5vfx) | Structure of an accessory protein of the pCW3 relaxosome in complex with the origin of transfer (oriT) DNA | Descriptor: | TcpK, oriT | Authors: | Traore, D.A.K, Wisniewski, J.A, Flanigan, S.F, Conroy, P.J, Panjikar, S, Mok, Y.-F, Lao, C, Griffin, M.D.W, Adams, V, Rood, J.I, Whisstock, J.C. | Deposit date: | 2017-04-10 | Release date: | 2018-04-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Crystal structure of TcpK in complex with oriT DNA of the antibiotic resistance plasmid pCW3. Nat Commun, 9, 2018
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4K1T
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![BU of 4k1t by Molmil](/molmil-images/mine/4k1t) | Gly-Ser-SplB protease from Staphylococcus aureus at 1.60 A resolution | Descriptor: | CHLORIDE ION, SULFATE ION, Serine protease SplB, ... | Authors: | Zdzalik, M, Pustelny, K, Stec-Niemczyk, J, Cichon, P, Czarna, A, Popowicz, G, Drag, M, Wladyka, B, Potempa, J, Dubin, A, Dubin, G. | Deposit date: | 2013-04-05 | Release date: | 2014-04-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Staphylococcal SplB Serine Protease Utilizes a Novel Molecular Mechanism of Activation. J.Biol.Chem., 289, 2014
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2AS9
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![BU of 2as9 by Molmil](/molmil-images/mine/2as9) | Functional and structural characterization of Spl proteases from staphylococcus aureus | Descriptor: | ZINC ION, serine protease | Authors: | Popowicz, G.M, Dubin, G, Stec-Niemczyk, J, Czarny, A, Dubin, A, Potempa, J, Holak, T.A. | Deposit date: | 2005-08-23 | Release date: | 2005-09-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Functional and Structural Characterization of Spl Proteases from Staphylococcus aureus J.Mol.Biol., 358, 2006
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4WY7
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![BU of 4wy7 by Molmil](/molmil-images/mine/4wy7) | Crystal structure of recombinant 4E10 expressed in Escherichia coli with epitope bound | Descriptor: | Envelope glycoprotein gp160, Fab 4E10 Heavy chain, Fab 4E10Light chain, ... | Authors: | Rujas, E, Morante, K, Tsumoto, K, Nieva, J.L, Caaveiro, J.M.M. | Deposit date: | 2014-11-16 | Release date: | 2015-03-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Atomic Structure of the HIV-1 gp41 Transmembrane Domain and Its Connection to the Immunogenic Membrane-proximal External Region. J.Biol.Chem., 290, 2015
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4K1S
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![BU of 4k1s by Molmil](/molmil-images/mine/4k1s) | Gly-Ser-SplB protease from Staphylococcus aureus at 1.96 A resolution | Descriptor: | Serine protease SplB | Authors: | Zdzalik, M, Pustelny, K, Stec-Niemczyk, J, Cichon, P, Czarna, A, Popowicz, G, Drag, M, Wladyka, B, Potempa, J, Dubin, A, Dubin, G. | Deposit date: | 2013-04-05 | Release date: | 2014-04-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Staphylococcal SplB Serine Protease Utilizes a Novel Molecular Mechanism of Activation. J.Biol.Chem., 289, 2014
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1XDS
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![BU of 1xds by Molmil](/molmil-images/mine/1xds) | Crystal structure of Aclacinomycin-10-hydroxylase (RdmB) in complex with S-adenosyl-L-methionine (SAM) and 11-deoxy-beta-rhodomycin (DbrA) | Descriptor: | 11-DEOXY-BETA-RHODOMYCIN, Protein RdmB, S-ADENOSYLMETHIONINE | Authors: | Jansson, A, Koskiniemi, H, Erola, A, Wang, J, Mantsala, P, Schneider, G, Niemi, J, Structural Proteomics in Europe (SPINE) | Deposit date: | 2004-09-08 | Release date: | 2004-11-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Aclacinomycin 10-Hydroxylase Is a Novel Substrate-assisted Hydroxylase Requiring S-Adenosyl-L-methionine as Cofactor J.Biol.Chem., 280, 2005
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1XDU
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![BU of 1xdu by Molmil](/molmil-images/mine/1xdu) | Crystal structure of Aclacinomycin-10-hydroxylase (RdmB) in complex with Sinefungin (SFG) | Descriptor: | ACETATE ION, Protein RdmB, SINEFUNGIN | Authors: | Jansson, A, Koskiniemi, H, Erola, A, Wang, J, Mantsala, P, Schneider, G, Niemi, J. | Deposit date: | 2004-09-08 | Release date: | 2004-11-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Aclacinomycin 10-Hydroxylase Is a Novel Substrate-assisted Hydroxylase Requiring S-Adenosyl-L-methionine as Cofactor J.Biol.Chem., 280, 2005
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