2N8M
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5JZD
| A re-refinement of the isochorismate synthase EntC | Descriptor: | (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, Isochorismate synthase EntC, MAGNESIUM ION | Authors: | Meneely, K.M, Lamb, A.L. | Deposit date: | 2016-05-16 | Release date: | 2016-07-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | An Open and Shut Case: The Interaction of Magnesium with MST Enzymes. J.Am.Chem.Soc., 138, 2016
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5JWI
| Crystal structure of Porphyromonas endodontalis DPP11 in complex with dipeptide Arg-Glu | Descriptor: | ARGININE, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, ... | Authors: | Bezerra, G.A, Fedosyuk, S, Ohara-Nemoto, Y, Nemoto, T.K, Djinovic-Carugo, K. | Deposit date: | 2016-05-12 | Release date: | 2017-06-14 | Last modified: | 2017-06-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Bacterial protease uses distinct thermodynamic signatures for substrate recognition. Sci Rep, 7, 2017
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2NBH
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5KDL
| Crystal structure of the 4 alanine insertion variant of the Gi alpha1 subunit bound to GTPgammaS | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION | Authors: | Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E. | Deposit date: | 2016-06-08 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.665 Å) | Cite: | A Conserved Hydrophobic Core in G alpha i1 Regulates G Protein Activation and Release from Activated Receptor. J.Biol.Chem., 291, 2016
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5KD4
| Crystal Structure of Murine MHC-I H-2Dd in complex with Murine Beta2-Microglobulin and a Variant of Peptide (PVI10) of HIV gp120 MN Isolate (IGPGRAFYVI) | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-D alpha chain, ... | Authors: | Jiang, J, Natarajan, K, Margulies, D. | Deposit date: | 2016-06-07 | Release date: | 2017-10-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Effects of Cross-Presentation, Antigen Processing, and Peptide Binding in HIV Evasion of T Cell Immunity. J. Immunol., 200, 2018
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5KH4
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5KHN
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5KH2
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1L01
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5KJK
| SMYD2 in complex with AZ370 | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide, N-lysine methyltransferase SMYD2, ... | Authors: | Ferguson, A. | Deposit date: | 2016-06-20 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors. J. Med. Chem., 59, 2016
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5KJL
| SMYD2 in complex with AZ378 | Descriptor: | N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ZINC ION | Authors: | Ferguson, A. | Deposit date: | 2016-06-20 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors. J. Med. Chem., 59, 2016
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5JH6
| Crystal structure of TL10-92 bound to TAK1-TAB1 | Descriptor: | 2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl prop-2-enoate, Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | Authors: | Gurbani, D, Westover, K.D. | Deposit date: | 2016-04-20 | Release date: | 2017-02-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.365 Å) | Cite: | Structure-guided development of covalent TAK1 inhibitors. Bioorg. Med. Chem., 25, 2017
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5JM9
| Structure of S. cerevesiae mApe1 dodecamer | Descriptor: | Vacuolar aminopeptidase 1 | Authors: | Sachse, C, Bertipaglia, C. | Deposit date: | 2016-04-28 | Release date: | 2016-06-15 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (24 Å) | Cite: | Higher-order assemblies of oligomeric cargo receptor complexes form the membrane scaffold of the Cvt vesicle. Embo Rep., 17, 2016
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5JIG
| Crytsal structure of Wss1 from S. pombe | Descriptor: | NICKEL (II) ION, OXYGEN MOLECULE, Ubiquitin and WLM domain-containing metalloprotease SPCC1442.07c | Authors: | Groll, M, Stingele, J, Boulton, S. | Deposit date: | 2016-04-22 | Release date: | 2016-11-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Mechanism and Regulation of DNA-Protein Crosslink Repair by the DNA-Dependent Metalloprotease SPRTN. Mol.Cell, 64, 2016
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5J3D
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5J41
| Glutathione S-transferase bound with hydrolyzed Piperlongumine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(3,4,5-trimethoxyphenyl)propanoic acid, GLUTATHIONE, ... | Authors: | Harshbarger, W, Gondi, S, Ficarro, S, Hunter, J, Udayakumar, D, Gurbani, D, Marto, J, Westover, K. | Deposit date: | 2016-03-31 | Release date: | 2016-11-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.19035351 Å) | Cite: | Structural and Biochemical Analyses Reveal the Mechanism of Glutathione S-Transferase Pi 1 Inhibition by the Anti-cancer Compound Piperlongumine. J. Biol. Chem., 292, 2017
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5IWJ
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5IXA
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5KQ5
| AMPK bound to allosteric activator | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | Authors: | Calabrese, M.F, Kurumbail, R.G. | Deposit date: | 2016-07-05 | Release date: | 2016-08-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.41 Å) | Cite: | Discovery and Preclinical Characterization of 6-Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic Acid (PF-06409577), a Direct Activator of Adenosine Monophosphate-activated Protein Kinase (AMPK), for the Potential Treatment of Diabetic Nephropathy. J.Med.Chem., 59, 2016
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5KSJ
| Crystal structure of deoxygenated hemoglobin in complex with Sphingosine phosphate | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Ahmed, M.H, Safo, M.K, Xia, Y. | Deposit date: | 2016-07-08 | Release date: | 2017-07-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease. Sci Rep, 7, 2017
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5IKN
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2PEE
| Crystal Structure of a Thermophilic Serpin, Tengpin, in the Native State | Descriptor: | GLYCEROL, SULFATE ION, Serine protease inhibitor | Authors: | Zhang, Q.W, Buckle, A.M, Whisstock, J.C. | Deposit date: | 2007-04-02 | Release date: | 2007-06-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The N terminus of the serpin, tengpin, functions to trap the metastable native state. Embo Rep., 8, 2007
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5JK3
| Crystal structure of TL11-128 bound to TAK1-TAB1 | Descriptor: | Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ~{N}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide | Authors: | Gurbani, D, Westover, K.D. | Deposit date: | 2016-04-25 | Release date: | 2017-02-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.371 Å) | Cite: | Structure-guided development of covalent TAK1 inhibitors. Bioorg. Med. Chem., 25, 2017
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5IZP
| Solution Structure of DNA Dodecamer with 8-oxoguanine at 10th Position | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*(8OG)P*CP*G)-3') | Authors: | Gruber, D.R, Hoppins, J.J, Miears, H.L, Kiryutin, A.S, Kasymov, R.D, Yurkovskaya, A.V, Zharkov, D.O, Smirnov, S.L. | Deposit date: | 2016-03-25 | Release date: | 2016-08-03 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | 8-Oxoguanine Affects DNA Backbone Conformation in the EcoRI Recognition Site and Inhibits Its Cleavage by the Enzyme. Plos One, 11, 2016
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