5IJI
 
 | | Fragment of nitrate/nitrite sensor histidine kinase NarQ (WT) in symmetric holo state | | Descriptor: | EICOSANE, NITRATE ION, Nitrate/nitrite sensor histidine kinase NarQ | | Authors: | Gushchin, I, Melnikov, I, Polovinkin, V, Ishchenko, A, Popov, A, Gordeliy, V. | | Deposit date: | 2016-03-02 | | Release date: | 2017-05-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Mechanism of transmembrane signaling by sensor histidine kinases.
Science, 356, 2017
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5I15
 | | CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV1-69/IGKV1-39 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FAB HEAVY CHAIN, FAB LIGHT CHAIN | | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G. | | Deposit date: | 2016-02-05 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural diversity in a human antibody germline library.
Mabs, 8, 2016
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5I1I
 | | CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-53/IGKV4-1 | | Descriptor: | FAB HEAVY CHAIN, FAB LIGHT CHAIN | | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G. | | Deposit date: | 2016-02-05 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural diversity in a human antibody germline library.
Mabs, 8, 2016
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5K8P
 | | Zn2+/Tetrahedral intermediate-bound R289A 5-nitroanthranilate aminohydrolase | | Descriptor: | (6~{R})-6-azanyl-3-nitro-6-oxidanyl-cyclohexa-1,3-diene-1-carboxylic acid, 5-nitroanthranilic acid aminohydrolase, GLYCEROL, ... | | Authors: | Kalyoncu, S. | | Deposit date: | 2016-05-30 | | Release date: | 2016-10-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Enzymatic hydrolysis by transition-metal-dependent nucleophilic aromatic substitution.
Nat.Chem.Biol., 12, 2016
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5KHY
 | | Crystal structure of oxime-linked K6 diubiquitin | | Descriptor: | ETHANOLAMINE, Polyubiquitin-B, ZINC ION | | Authors: | Stanley, M, Virdee, S. | | Deposit date: | 2016-06-16 | | Release date: | 2016-09-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.501 Å) | | Cite: | Genetically Directed Production of Recombinant, Isosteric and Nonhydrolysable Ubiquitin Conjugates.
Chembiochem, 17, 2016
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5KGM
 | | 2.95A resolution structure of Apo independent phosphoglycerate mutase from C. elegans (monoclinic form) | | Descriptor: | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, CHLORIDE ION, MANGANESE (II) ION, ... | | Authors: | Lovell, S, Mehzabeen, N, Battaile, K.P, Yu, H, Dranchak, P, MacArthur, R, Li, Z, Carlow, T, Suga, H, Inglese, J. | | Deposit date: | 2016-06-13 | | Release date: | 2017-04-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Macrocycle peptides delineate locked-open inhibition mechanism for microorganism phosphoglycerate mutases.
Nat Commun, 8, 2017
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5K8Y
 | | Structure of the Mus musclus Langerin carbohydrate recognition domain | | Descriptor: | C-type lectin domain family 4 member K, CALCIUM ION, GLYCEROL, ... | | Authors: | Loll, B, Aretz, J, Rademacher, C, Wahl, M.C. | | Deposit date: | 2016-05-31 | | Release date: | 2016-12-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Bacterial Polysaccharide Specificity of the Pattern Recognition Receptor Langerin Is Highly Species-dependent.
J. Biol. Chem., 292, 2017
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5KCV
 | | Crystal structure of allosteric inhibitor, ARQ 092, in complex with autoinhibited form of AKT1 | | Descriptor: | 3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine, RAC-alpha serine/threonine-protein kinase | | Authors: | Eathiraj, S. | | Deposit date: | 2016-06-07 | | Release date: | 2016-06-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of 3-(3-(4-(1-Aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine (ARQ 092): An Orally Bioavailable, Selective, and Potent Allosteric AKT Inhibitor.
J.Med.Chem., 59, 2016
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5K9Q
 | | Crystal structure of multidonor HV1-18-class broadly neutralizing Influenza A antibody 16.a.26 in complex with A/Hong Kong/1-4-MA21-1/1968 (H3N2) Hemagglutinin | | Descriptor: | 16.a.26 Heavy chain, 16.a.26 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | | Deposit date: | 2016-06-01 | | Release date: | 2016-11-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.503 Å) | | Cite: | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell(Cambridge,Mass.), 166, 2016
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5KDI
 | | How FAPP2 Selects Simple Glycosphingolipids Using the GLTP-fold | | Descriptor: | (~{Z})-~{N}-[(~{E},2~{S},3~{R})-1-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadec-9-enamide, Pleckstrin homology domain-containing family A member 8 | | Authors: | Ochoa-Lizarralde, B, Popov, A.N, Samygina, V.R, Patel, D.J, Brown, R.E, Malinina, L. | | Deposit date: | 2016-06-08 | | Release date: | 2017-12-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural analyses of 4-phosphate adaptor protein 2 yield mechanistic insights into sphingolipid recognition by the glycolipid transfer protein family.
J.Biol.Chem., 293, 2018
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5KGS
 | | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead: 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one | | Descriptor: | 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Maize, K.M, Aldrich, C.C, Finzel, B.C. | | Deposit date: | 2016-06-13 | | Release date: | 2017-06-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis.
J. Med. Chem., 60, 2017
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5KHH
 | | HCN2 CNBD in complex with inosine-3', 5'-cyclic monophosphate (cIMP) | | Descriptor: | Inosine-3',5'-cyclic monophosphate, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 | | Authors: | Ng, L.C.T, Putrenko, I, Baronas, V, Van Petegem, F, Accili, E.A. | | Deposit date: | 2016-06-14 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Cyclic Purine and Pyrimidine Nucleotides Bind to the HCN2 Ion Channel and Variably Promote C-Terminal Domain Interactions and Opening.
Structure, 24, 2016
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5J1E
 | | Crystal Structure of a Hydroxypyridone Carboxylic Acid Active-Site RNase H Inhibitor in Complex with HIV Reverse Transcriptase | | Descriptor: | 5-hydroxy-4-oxo-1-[(4'-sulfamoyl[1,1'-biphenyl]-4-yl)methyl]-1,4-dihydropyridine-3-carboxylic acid, HIV-1 REVERSE TRANSCRIPTASE P51 DOMAIN, HIV-1 REVERSE TRANSCRIPTASE P66 DOMAIN, ... | | Authors: | Kirby, K.A, Sarafianos, S.G. | | Deposit date: | 2016-03-29 | | Release date: | 2016-06-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Design, Synthesis, and Biological Evaluations of Hydroxypyridonecarboxylic Acids as Inhibitors of HIV Reverse Transcriptase Associated RNase H.
J.Med.Chem., 59, 2016
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5IVY
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5JDE
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5JDD
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5JAC
 | | Sixty minutes iron loaded Rana Catesbeiana H' ferritin variant E57A/E136A/D140A | | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | | Authors: | Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P. | | Deposit date: | 2016-04-12 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity.
Chemistry, 22, 2016
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5JIW
 | | Crystal structure of Thermus aquaticus amylomaltase (GH77) in complex with a 34-meric cycloamylose | | Descriptor: | 1,2-ETHANEDIOL, 4-alpha-glucanotransferase, CARBONATE ION, ... | | Authors: | Roth, C, Bexten, N, Weizenmann, N, Saenger, T, Maier, T, Zimmermann, W, Straeter, N. | | Deposit date: | 2016-04-22 | | Release date: | 2017-01-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Amylose recognition and ring-size determination of amylomaltase.
Sci Adv, 3, 2017
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5JBW
 | | Crystal structure of LiuC | | Descriptor: | 3-hydroxybutyryl-CoA dehydratase | | Authors: | Bock, T, Reichelt, J, Mueller, R, Blankenfeldt, W. | | Deposit date: | 2016-04-14 | | Release date: | 2016-06-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The Structure of LiuC, a 3-Hydroxy-3-Methylglutaconyl CoA Dehydratase Involved in Isovaleryl-CoA Biosynthesis in Myxococcus xanthus, Reveals Insights into Specificity and Catalysis.
Chembiochem, 17, 2016
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5JJI
 | | Rho transcription termination factor bound to rU7 and 6 ADP-BeF3 molecules | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... | | Authors: | Thomsen, N.D, Lawson, M.R, Witkowsky, L.B, Qu, S, Berger, J.M. | | Deposit date: | 2016-04-24 | | Release date: | 2016-11-16 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Molecular mechanisms of substrate-controlled ring dynamics and substepping in a nucleic acid-dependent hexameric motor.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5JNN
 | | Crystal structure of abscisic acid receptor PYL2 in complex with Phaseic acid. | | Descriptor: | (3S,4E)-5-[(1R,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpent-4-enoic acid, Abscisic acid receptor PYL2 | | Authors: | Weng, J.K, Noel, J.P. | | Deposit date: | 2016-04-30 | | Release date: | 2016-08-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Co-evolution of Hormone Metabolism and Signaling Networks Expands Plant Adaptive Plasticity.
Cell, 166, 2016
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5JNE
 | | E2-SUMO-Siz1 E3-SUMO-PCNA complex | | Descriptor: | E3 SUMO-protein ligase SIZ1,Ubiquitin-like protein SMT3, GLYCEROL, Proliferating cell nuclear antigen, ... | | Authors: | Lima, C.D, Streich Jr, F.C. | | Deposit date: | 2016-04-29 | | Release date: | 2016-08-10 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Capturing a substrate in an activated RING E3/E2-SUMO complex.
Nature, 536, 2016
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5IQ8
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5IJO
 | | Alternative composite structure of the inner ring of the human nuclear pore complex (16 copies of Nup188, 16 copies of Nup205) | | Descriptor: | Nuclear pore complex protein Nup155, Nuclear pore complex protein Nup205, Nuclear pore complex protein Nup93, ... | | Authors: | Kosinski, J, Mosalaganti, S, von Appen, A, Beck, M. | | Deposit date: | 2016-03-02 | | Release date: | 2016-04-27 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (21.4 Å) | | Cite: | Molecular architecture of the inner ring scaffold of the human nuclear pore complex.
Science, 352, 2016
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5I8X
 | | Bicyclic antimibrocial peptides | | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, DLS-LYS-CYS-LYS-LEU-CYS-LYS-LYS-NH2, ... | | Authors: | Di Bonaventura, I, Jin, X, Visini, R, Michaud, G, Robadey, M, Koehler, T, van Delden, C, Stocker, A, Darbre, T, Reymond, J.-L. | | Deposit date: | 2016-02-19 | | Release date: | 2017-08-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Chemical space guided discovery of antimicrobial bridged bicyclic peptides against Pseudomonas aeruginosa and its biofilms.
Chem Sci, 8, 2017
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