5LXQ
 
 | | Structure of PRL-1 in complex with the Bateman domain of CNNM2 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Metal transporter CNNM2, Protein tyrosine phosphatase type IVA 1, ... | | Authors: | GIMENEZ-Mascarell, P, Oyenarte, I, Hardy, S, Breiderhoff, T, Stuiver, M, Kostantin, E, Diercks, T, Pey, A.L, Ereno-ORBEA, J, Martinez-Chantar, M.L, Khalaf-Nazzal, R, Claverie-Martin, F, Muller, D, Tremblay, M, Martinez-Cruz, L.A. | | Deposit date: | 2016-09-22 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.335 Å) | | Cite: | Structural Basis of the Oncogenic Interaction of Phosphatase PRL-1 with the Magnesium Transporter CNNM2.
J. Biol. Chem., 292, 2017
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5LYQ
 | | Crystal structure of the Retinoic Acid Receptor alpha in complex with a synthetic spiroketal agonist and a fragment of the TIF2 co-activator. | | Descriptor: | (2~{R})-6,6,9,9-tetramethylspiro[3,4,7,8-tetrahydrobenzo[g]chromene-2,2'-3,4-dihydrochromene]-6'-carboxylic acid, HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP, Retinoic acid receptor RXR-alpha | | Authors: | Andrei, S.A, Ottmann, C. | | Deposit date: | 2016-09-28 | | Release date: | 2017-04-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Designed Spiroketal Protein Modulation.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5M0D
 | | Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors | | Descriptor: | CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2,Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, GLYCEROL, ... | | Authors: | Keune, W.-J, Heidebrecht, T, Perrakis, A. | | Deposit date: | 2016-10-04 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
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5LEJ
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a 30-bp operator PrfA-box motif | | Descriptor: | DNA (30-MER), Listeriolysin regulatory protein | | Authors: | Hall, M, Grundstrom, C, Begum, A, Lindberg, M, Sauer, U.H, Almqvist, F, Johansson, J, Sauer-Eriksson, A.E. | | Deposit date: | 2016-06-29 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for glutathione-mediated activation of the virulence regulatory protein PrfA in Listeria.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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8II8
 | | X-ray crystal structure of pink-colored protein from Pleurotus salmoneostramineus in complex with natural chromophore | | Descriptor: | (2E,5E,7Z,9E,11E,13E,15Z,17E,19Z,21E,23E)-24-methyl-25-oxohexacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenoic acid, ACETYL GROUP, Chromoprotein | | Authors: | Ihara, M, Fukuta, Y, Shirasaka, N. | | Deposit date: | 2023-02-24 | | Release date: | 2024-08-14 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystal Structure of the Native Chromoprotein from Pleurotus salmoneostramineus Provides Insights into the Pigmentation Mechanism.
J.Agric.Food Chem., 72, 2024
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5LGU
 | | Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 34 | | Descriptor: | 4-methyl-~{N}-[2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | | Authors: | Mattevi, A, Ciossani, G. | | Deposit date: | 2016-07-08 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60, 2017
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5M0E
 | | Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors | | Descriptor: | 7alpha-hydroxycholesterol, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | | Authors: | Keune, W.-J, Heidebrecht, T, Perrakis, A. | | Deposit date: | 2016-10-04 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
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8IZT
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8IZU
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8J2D
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5M0X
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5M18
 | | Crystal structure of PBP2a from MRSA in the presence of Cefepime ligand | | Descriptor: | CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid | | Authors: | Molina, R, Batuecas, M.T, Hermoso, J.A. | | Deposit date: | 2016-10-07 | | Release date: | 2017-02-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
J. Am. Chem. Soc., 139, 2017
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5M1F
 | | Crystal structure of the large terminase nuclease from thermophilic phage G20c | | Descriptor: | Phage terminase large subunit | | Authors: | Xu, R.G, Jenkins, H.T, Chechik, M, Blagova, E.V, Greive, S.J, Antson, A.A. | | Deposit date: | 2016-10-07 | | Release date: | 2016-10-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Viral genome packaging terminase cleaves DNA using the canonical RuvC-like two-metal catalysis mechanism.
Nucleic Acids Res., 45, 2017
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5LCD
 | | Structure of Polyphosphate Kinase from Meiothermus ruber bound to AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Gerhardt, S, Einsle, O, Kemper, F, Schwarzer, N. | | Deposit date: | 2016-06-21 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5LD1
 | | Crystal Structure of Polyphosphate Kinase from Meiothermus ruber bound to ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Gerhardt, S, Einsle, O, Kemper, F, Schwarzer, N. | | Deposit date: | 2016-06-23 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5LJ7
 | | Structure of Aggregatibacter actinomycetemcomitans MacB bound to ATP (P21) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Macrolide export ATP-binding/permease protein MacB | | Authors: | Crow, A. | | Deposit date: | 2016-07-18 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structure and mechanotransmission mechanism of the MacB ABC transporter superfamily.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5LK2
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5LE5
 | | Native human 20S proteasome at 1.8 Angstrom | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | | Deposit date: | 2016-06-29 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
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5LFO
 | | Crystal structure of murine N1-acetylpolyamine oxidase in complex with N1-acetylspermine | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide, ... | | Authors: | Sjogren, T, Aagaard, A, Wassvik, C, Snijder, A, Barlind, L. | | Deposit date: | 2016-07-04 | | Release date: | 2017-03-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | The Structure of Murine N(1)-Acetylspermine Oxidase Reveals Molecular Details of Vertebrate Polyamine Catabolism.
Biochemistry, 56, 2017
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8JD7
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5LFP
 | | Crystal Structure of the Bacterial Proteasome Activator Bpa of Mycobacterium tuberculosis (space group P6322, SeMet) | | Descriptor: | Bacterial proteasome activator | | Authors: | Bolten, M, Delley, C.L, Leibundgut, M, Boehringer, D, Ban, N, Weber-Ban, E. | | Deposit date: | 2016-07-04 | | Release date: | 2016-11-23 | | Last modified: | 2016-12-14 | | Method: | X-RAY DIFFRACTION (3.303 Å) | | Cite: | Structural Analysis of the Bacterial Proteasome Activator Bpa in Complex with the 20S Proteasome.
Structure, 24, 2016
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5LFU
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5LG1
 | | Room temperature structure of human IgG4-Fc from crystals analysed in situ | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-4 chain C region | | Authors: | Davies, A.M, Rispens, T, Ooijevaar-de Heer, P, Aalberse, R.C, Sutton, B.J. | | Deposit date: | 2016-07-05 | | Release date: | 2016-12-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Room temperature structure of human IgG4-Fc from crystals analysed in situ.
Mol. Immunol., 81, 2016
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5LGB
 | | Crystal structure of murine N1-acetylpolyamine oxidase in complex with MDL72527 | | Descriptor: | FAD-MDL72527 adduct, N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE-DIAMINE, Peroxisomal N(1)-acetyl-spermine/spermidine oxidase,Peroxisomal N(1)-acetyl-spermine/spermidine oxidase | | Authors: | Sjogren, T, Aagaard, A, Wassvik, C, Snijder, A, Barlind, L. | | Deposit date: | 2016-07-06 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Structure of Murine N(1)-Acetylspermine Oxidase Reveals Molecular Details of Vertebrate Polyamine Catabolism.
Biochemistry, 56, 2017
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8IVP
 | | Crystal structure of MV in complex with LLP and FRU from Mycobacterium vanbaalenii | | Descriptor: | Branched chain amino acid: 2-keto-4-methylthiobutyrate aminotransferase, D-fructose | | Authors: | Li, Q, Zhu, Y.M, Gao, J, Wei, H.L, Han, X, Liu, W.D, Sun, Y.X. | | Deposit date: | 2023-03-28 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structure of MV in complex with LLP and FRU from Mycobacterium vanbaalenii
To Be Published
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