3KKU
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![BU of 3kku by Molmil](/molmil-images/mine/3kku) | Cruzain in complex with a non-covalent ligand | Descriptor: | 1,2-ETHANEDIOL, Cruzipain, N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide, ... | Authors: | Ferreira, R.S, Eidam, O, Shoichet, B.K. | Deposit date: | 2009-11-06 | Release date: | 2010-07-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors. J.Med.Chem., 53, 2010
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3AN3
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![BU of 3an3 by Molmil](/molmil-images/mine/3an3) | Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO3S | Descriptor: | (2S)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Oyama, T, Ohashi, M, Waku, T, Miyachi, H, Morikawa, K. | Deposit date: | 2010-08-30 | Release date: | 2011-07-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship J.Med.Chem., 54, 2011
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1YTN
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![BU of 1ytn by Molmil](/molmil-images/mine/1ytn) | HYDROLASE | Descriptor: | NITRATE ION, YERSINIA PROTEIN TYROSINE PHOSPHATASE | Authors: | Yuvaniyama, C, Fauman, E.B, Saper, M.A. | Deposit date: | 1996-05-01 | Release date: | 1996-11-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The X-ray crystal structures of Yersinia tyrosine phosphatase with bound tungstate and nitrate. Mechanistic implications. J.Biol.Chem., 271, 1996
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2KMN
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![BU of 2kmn by Molmil](/molmil-images/mine/2kmn) | |
3SDH
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![BU of 3sdh by Molmil](/molmil-images/mine/3sdh) | |
4RZT
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![BU of 4rzt by Molmil](/molmil-images/mine/4rzt) | Lac repressor engineered to bind sucralose, sucralose-bound tetramer | Descriptor: | 4-chloro-4-deoxy-alpha-D-galactopyranose-(1-2)-1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose, Lac repressor | Authors: | Arbing, M.A, Cascio, D, Sawaya, M.R, Kosuri, S, Church, G.M. | Deposit date: | 2014-12-24 | Release date: | 2015-12-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Engineering an allosteric transcription factor to respond to new ligands. Nat.Methods, 13, 2016
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2PTV
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![BU of 2ptv by Molmil](/molmil-images/mine/2ptv) | Structure of NK cell receptor ligand CD48 | Descriptor: | CD48 antigen | Authors: | Deng, L, Velikovsky, C.A, Mariuzza, R.A. | Deposit date: | 2007-05-08 | Release date: | 2007-11-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structure of natural killer receptor 2B4 bound to CD48 reveals basis for heterophilic recognition in signaling lymphocyte activation molecule family. Immunity, 27, 2007
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3AN4
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![BU of 3an4 by Molmil](/molmil-images/mine/3an4) | Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO4R | Descriptor: | (2R)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Oyama, T, Ohashi, M, Waku, T, Miyachi, H, Morikawa, K. | Deposit date: | 2010-08-30 | Release date: | 2011-07-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship J.Med.Chem., 54, 2011
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3ZZG
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![BU of 3zzg by Molmil](/molmil-images/mine/3zzg) | Crystal structure of the amino acid kinase domain from Saccharomyces cerevisiae acetylglutamate kinase without ligands | Descriptor: | ACETYLGLUTAMATE KINASE | Authors: | de Cima, S, Gil-Ortiz, F, Crabeel, M, Fita, I, Rubio, V. | Deposit date: | 2011-09-01 | Release date: | 2012-05-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Insight on an Arginine Synthesis Metabolon from the Tetrameric Structure of Yeast Acetylglutamate Kinase Plos One, 7, 2012
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4N7P
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![BU of 4n7p by Molmil](/molmil-images/mine/4n7p) | Capturing the haemoglobin allosteric transition in a single crystal form; Crystal structure of half-liganded human haemoglobin without phosphate at 2.8 A resolution. | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Sugiyama, K, Shibayama, N, Park, S.Y. | Deposit date: | 2013-10-16 | Release date: | 2014-04-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.809 Å) | Cite: | Capturing the hemoglobin allosteric transition in a single crystal form J.Am.Chem.Soc., 136, 2014
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3NPO
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![BU of 3npo by Molmil](/molmil-images/mine/3npo) | Bovine beta lactoglobulin unliganded form | Descriptor: | Beta-lactoglobulin | Authors: | Loch, J.I, Lewinski, K. | Deposit date: | 2010-06-28 | Release date: | 2010-07-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Two modes of fatty acid binding to bovine beta-lactoglobulin-crystallographic and spectroscopic studies J.Mol.Recognit., 24, 2011
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3OKM
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![BU of 3okm by Molmil](/molmil-images/mine/3okm) | Crystal structure of unliganded S25-39 | Descriptor: | S25-39 Fab (IgG1k) heavy chain, S25-39 Fab (IgG1k) light chain | Authors: | Blackler, R.J, Evans, S.V. | Deposit date: | 2010-08-25 | Release date: | 2011-04-06 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Common NH53K Mutation in the Combining Site of Antibodies Raised against Chlamydial LPS Glycoconjugates Significantly Increases Avidity. Biochemistry, 50, 2011
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4N1T
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![BU of 4n1t by Molmil](/molmil-images/mine/4n1t) | Structure of human MTH1 in complex with TH287 | Descriptor: | 6-(2,3-dichlorophenyl)-N~4~-methylpyrimidine-2,4-diamine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Berntsson, R.P.-A, Jemth, A, Gustafsson, R, Svensson, L.M, Helleday, T, Stenmark, P. | Deposit date: | 2013-10-04 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool. Nature, 508, 2014
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5X0W
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![BU of 5x0w by Molmil](/molmil-images/mine/5x0w) | Molecular mechanism for the binding between Sharpin and HOIP | Descriptor: | E3 ubiquitin-protein ligase RNF31, Sharpin | Authors: | Liu, J, Li, F, Cheng, X, Pan, L. | Deposit date: | 2017-01-23 | Release date: | 2017-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Insights into SHARPIN-Mediated Activation of HOIP for the Linear Ubiquitin Chain Assembly Cell Rep, 21, 2017
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7UV8
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![BU of 7uv8 by Molmil](/molmil-images/mine/7uv8) | Rad6-Bre1 Complex | Descriptor: | E3 ubiquitin-protein ligase BRE1, Ubiquitin-conjugating enzyme E2 2 | Authors: | Shukla, P.K, Chandrasekharan, M.B. | Deposit date: | 2022-04-29 | Release date: | 2023-01-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure and functional determinants of Rad6-Bre1 subunits in the histone H2B ubiquitin-conjugating complex. Nucleic Acids Res., 51, 2023
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3UBQ
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![BU of 3ubq by Molmil](/molmil-images/mine/3ubq) | Influenza hemagglutinin from the 2009 pandemic in complex with ligand 3SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | Authors: | Xu, R, Wilson, I.A. | Deposit date: | 2011-10-24 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Characterization of the Hemagglutinin Receptor Specificity from the 2009 H1N1 Influenza Pandemic. J.Virol., 86, 2012
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1B40
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5X6C
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![BU of 5x6c by Molmil](/molmil-images/mine/5x6c) | Crystal structure of SepRS-SepCysE from Methanocaldococcus jannaschii | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, O-phosphoserine--tRNA(Cys) ligase, SULFATE ION, ... | Authors: | Chen, M, Kato, K, Yao, M. | Deposit date: | 2017-02-21 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.101 Å) | Cite: | Structural basis for tRNA-dependent cysteine biosynthesis Nat Commun, 8, 2017
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1B05
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![BU of 1b05 by Molmil](/molmil-images/mine/1b05) | |
2PZV
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![BU of 2pzv by Molmil](/molmil-images/mine/2pzv) | Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas Putida (pksi) with bound Phenol | Descriptor: | PHENOL, Steroid Delta-isomerase | Authors: | Pybus, B, Caaveiro, J.M.M, Petsko, G.A, Ringe, D. | Deposit date: | 2007-05-18 | Release date: | 2007-06-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Testing Electrostatic complementarity in Enzyme Catalysis: Hydrogen Bonding in the Ketosteroid Isomerase Oxyanion Hole PLoS Biol., 4, 2006
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3UBJ
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![BU of 3ubj by Molmil](/molmil-images/mine/3ubj) | Influenza hemagglutinin from the 2009 pandemic in complex with ligand LSTa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | Authors: | Xu, R, Wilson, I.A. | Deposit date: | 2011-10-24 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Characterization of the Hemagglutinin Receptor Specificity from the 2009 H1N1 Influenza Pandemic. J.Virol., 86, 2012
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1HZ8
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![BU of 1hz8 by Molmil](/molmil-images/mine/1hz8) | SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF A CONCATEMER OF EGF-HOMOLOGY MODULES OF THE HUMAN LOW DENSITY LIPOPROTEIN RECEPTOR | Descriptor: | CALCIUM ION, LOW DENSITY LIPOPROTEIN RECEPTOR | Authors: | Kurniawan, N.D, Aliabadizadeh, K, Brereton, I.M, Kroon, P.A, Smith, R. | Deposit date: | 2001-01-23 | Release date: | 2001-08-15 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | NMR structure and backbone dynamics of a concatemer of epidermal growth factor homology modules of the human low-density lipoprotein receptor. J.Mol.Biol., 311, 2001
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1I0U
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![BU of 1i0u by Molmil](/molmil-images/mine/1i0u) | SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF A CONCATEMER OF EGF-HOMOLOGY MODULES OF THE HUMAN LOW DENSITY LIPOPROTEIN RECEPTOR | Descriptor: | CALCIUM ION, LOW DENSITY LIPOPROTEIN RECEPTOR | Authors: | Kurniawan, N.D, Aliabadizadeh, K, Brereton, I.M, Kroon, P.A, Smith, R. | Deposit date: | 2001-01-29 | Release date: | 2001-08-15 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | NMR structure and backbone dynamics of a concatemer of epidermal growth factor homology modules of the human low-density lipoprotein receptor. J.Mol.Biol., 311, 2001
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3TCL
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![BU of 3tcl by Molmil](/molmil-images/mine/3tcl) | Crystal Structure of HIV-1 Neutralizing Antibody CH04 | Descriptor: | CH04 Heavy Chain Fab, CH04 Light Chain Fab, IMIDAZOLE | Authors: | Louder, R.K, McLellan, J.S, Pancera, M, Yang, Y, Zhang, B, Bonsignori, M, Kwong, P.D. | Deposit date: | 2011-08-09 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.906 Å) | Cite: | Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9. Nature, 480, 2011
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3P0U
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![BU of 3p0u by Molmil](/molmil-images/mine/3p0u) | Crystal Structure of the ligand binding domain of human testicular receptor 4 | Descriptor: | Nuclear receptor subfamily 2 group C member 2 | Authors: | Zhou, X.E, Suino-Powell, K.M, Xu, Y, Chan, C.-W, Kruse, S.W, Reynolds, R, Engel, J.D, Xu, H.E. | Deposit date: | 2010-09-29 | Release date: | 2010-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Orphan Nuclear Receptor TR4 Is a Vitamin A-activated Nuclear Receptor. J.Biol.Chem., 286, 2011
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