6E1P
 
 | | Structure of AtTPC1(DDE) in state 2 | | Descriptor: | CALCIUM ION, PALMITIC ACID, Two pore calcium channel protein 1 | | Authors: | Kintzer, A.F, Green, E.M, Cheng, Y, Stroud, R.M. | | Deposit date: | 2018-07-10 | | Release date: | 2018-09-19 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural basis for activation of voltage sensor domains in an ion channel TPC1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5JWG
 | | Crystal structure of Porphyromonas endodontalis DPP11 in complex with dipeptide Arg-Asp | | Descriptor: | 1,2-ETHANEDIOL, ARGININE, ASPARTIC ACID, ... | | 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 (2.2 Å) | | Cite: | Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep, 7, 2017
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5JWR
 | | Crystal structure of foldswitch-stabilized KaiB in complex with the N-terminal CI domain of KaiC and a dimer of KaiA C-terminal domains from Thermosynechococcus elongatus | | Descriptor: | Circadian clock protein KaiA, Circadian clock protein KaiB, Circadian clock protein kinase KaiC, ... | | Authors: | Tseng, R, Goularte, N.F, Chavan, A, Luu, J, Chang, Y.G, Heilser, J, Tripathi, S, LiWang, A, Partch, C.L. | | Deposit date: | 2016-05-12 | | Release date: | 2017-03-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structural basis of the day-night transition in a bacterial circadian clock.
Science, 355, 2017
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8P05
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with Leucettinib-92 | | Descriptor: | (4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one, Casein kinase II subunit alpha, SULFATE ION | | Authors: | Kraemer, A, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-05-09 | | Release date: | 2023-05-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Leucettinibs, a Class of DYRK/CLK Kinase Inhibitors Inspired by the Marine Sponge Natural Product Leucettamine B.
J.Med.Chem., 66, 2023
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7OEU
 | | Model of open pentamer of the Haliangium ochraceum encapsulin from symmetry expansion of icosahedral single particle reconstruction | | Descriptor: | Haliangium ochraceum encapsulated ferritin, Linocin_M18 bacteriocin protein | | Authors: | Marles-Wright, J, Basle, A, Clarke, D.J, Ross, J. | | Deposit date: | 2021-05-04 | | Release date: | 2022-02-09 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | Pore dynamics and asymmetric cargo loading in an encapsulin nanocompartment.
Sci Adv, 8, 2022
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8OJJ
 | | Cryo-EM structure of the DnaD-NTD tetramer | | Descriptor: | DNA replication protein DnaD | | Authors: | Winterhalter, C, Pelliciari, S, Cronin, N, Costa, T.R.D, Murray, H, Ilangovan, A. | | Deposit date: | 2023-03-24 | | Release date: | 2023-05-17 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (5.47 Å) | | Cite: | The DNA replication initiation protein DnaD recognises a specific strand of the Bacillus subtilis chromosome origin.
Nucleic Acids Res., 51, 2023
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5JZA
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1CYZ
 | | NMR STRUCTURE OF THE GAACTGGTTC/TRI-IMIDAZOLE POLYAMIDE COMPLEX | | Descriptor: | (2-{[4-({4-[(4-FORMYLAMINO-1-METHYL-1H-IMIDAZOLE-2-CARBONYL)-AMINO]-1-METHYL-1H-IMIDAZOLE-2-CARBONYL}-AMINO)-1-METHYL-1 H-IMIDAZOLE-2-CARBONYL]-AMINO}-ETHYL)-DIMETHYL-AMMONIUM, 5'-D(*GP*AP*AP*CP*TP*GP*GP*TP*TP*C)-3' | | Authors: | Yang, X.-L, Hubbard IV, R.B, Lee, M, Tao, Z.-F, Sugiyama, H, Wang, A.H.-J. | | Deposit date: | 1999-08-31 | | Release date: | 1999-09-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Imidazole-imidazole pair as a minor groove recognition motif for T:G mismatched base pairs
Nucleic Acids Res., 27, 1999
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6CZI
 | | Structure of a redesigned beta barrel, mFAP1, bound to DFHBI | | Descriptor: | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP1 | | Authors: | Doyle, L.A, Stoddard, B.L. | | Deposit date: | 2018-04-09 | | Release date: | 2018-09-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
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5K03
 | | Crystal Structure of COMT in complex with 2,6-dimethyl-3-(1H-pyrazol-3-yl)imidazo[1,2-a]pyridine | | Descriptor: | 2,6-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine, Catechol O-methyltransferase, POTASSIUM ION | | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | Deposit date: | 2016-05-17 | | Release date: | 2016-09-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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4Z2L
 | | Serratia marcescens Chitinase B complexed with macrolide inhibitor 33 | | Descriptor: | (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7,10,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-6-(prop-2-yn-1-yloxy)oxacyclotetradecan-4-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate, CHLORIDE ION, Chitinase B, ... | | Authors: | Maita, N, Sugawara, A, Sunazuka, T. | | Deposit date: | 2015-03-30 | | Release date: | 2015-07-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase
J.Med.Chem., 58, 2015
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8Z75
 | | The structure of non-activated thiocyanate dehydrogenase from Pelomicrobium methylotrophicum (pmTcDH) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ... | | Authors: | Varfolomeeva, L.A, Solovieva, A.Y, Shipkov, N.S, Dergousova, N.I, Boyko, K.M, Tikhonova, T.V, Popov, V.O. | | Deposit date: | 2024-04-19 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The structure of non-activated thiocyanate dehydrogenase from Pelomicrobium methylotrophicum (pmTcDH)
To Be Published
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4Z2R
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5EAQ
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5OE2
 | | CRYSTAL STRUCTURE OF THE BETA-LACTAMASE OXA-245 | | Descriptor: | Beta-lactamase, CHLORIDE ION, SODIUM ION | | Authors: | Lund, B.A, Leiros, H.K.S. | | Deposit date: | 2017-07-07 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure, activity and thermostability investigations of OXA-163, OXA-181 and OXA-245 using biochemical analysis, crystal structures and differential scanning calorimetry analysis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
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6D0K
 | | Crystal structure of a CLC-type fluoride/proton antiporter, E118Q mutant | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, CLC-type fluoride/proton antiporter, DECYL-BETA-D-MALTOPYRANOSIDE, ... | | Authors: | Last, N.B, Stockbridge, R.B, Wilson, A.E, Shane, T, Kolmakova-Partensky, L, Koide, A, Koide, S, Miller, C. | | Deposit date: | 2018-04-10 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | A CLC-type F-/H+antiporter in ion-swapped conformations.
Nat. Struct. Mol. Biol., 25, 2018
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4XHF
 | | Crystal structure of Shewanella oneidensis NqrC | | Descriptor: | FLAVIN MONONUCLEOTIDE, Na-translocating NADH-quinone reductase subunit C NqrC, SODIUM ION | | Authors: | Tomchick, D.R, Brautigam, C.A, Deka, R.K, Norgard, M.V. | | Deposit date: | 2015-01-05 | | Release date: | 2015-12-16 | | Last modified: | 2016-03-16 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Molecular insights into the enzymatic diversity of flavin-trafficking protein (Ftp; formerly ApbE) in flavoprotein biogenesis in the bacterial periplasm.
Microbiologyopen, 5, 2016
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4UFM
 | | Mouse Galactocerebrosidase complexed with 1-deoxy-galacto-nojirimycin DGJ | | Descriptor: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E. | | Deposit date: | 2015-03-17 | | Release date: | 2015-04-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease.
Chem.Sci., 6, 2015
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6MDP
 | | The D1 and D2 domain rings of NSF engaging the SNAP-25 N-terminus within the 20S supercomplex (focused refinement on D1/D2 rings, class 2) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Synaptosomal-associated protein 25, ... | | Authors: | White, K.I, Zhao, M, Brunger, A.T. | | Deposit date: | 2018-09-04 | | Release date: | 2018-09-19 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural principles of SNARE complex recognition by the AAA+ protein NSF.
Elife, 7, 2018
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8QCF
 | | yeast cytoplasmic exosome-Ski2 complex degrading a RNA substrate | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Antiviral helicase SKI2, Exosome complex component CSL4, ... | | Authors: | Keidel, A, Koegel, A, Reichelt, P, Kowalinski, E, Schaefer, I.B, Conti, E. | | Deposit date: | 2023-08-25 | | Release date: | 2024-01-10 | | Method: | ELECTRON MICROSCOPY (2.55 Å) | | Cite: | Concerted structural rearrangements enable RNA channeling into the cytoplasmic Ski238-Ski7-exosome assembly.
Mol.Cell, 83, 2023
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5JOU
 | | Bacteroides ovatus Xyloglucan PUL GH31 | | Descriptor: | 1,2-ETHANEDIOL, Alpha-xylosidase BoGH31A, NICKEL (II) ION | | Authors: | Thompson, A.J, Hemsworth, G.R, Stepper, J, Sobala, L.F, Coyle, T, Larsbrink, J, Spadiut, O, Stubbs, K.A, Brumer, H, Davies, G.J. | | Deposit date: | 2016-05-03 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut.
Open Biology, 6, 2016
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5K1H
 | | eIF3b relocated to the intersubunit face to interact with eIF1 and below the eIF2 ternary-complex. from the structure of a partial yeast 48S preinitiation complex in closed conformation. | | Descriptor: | Eukaryotic translation initiation factor 3 subunit B, eIF3a C-terminal tail | | Authors: | Simonetti, A, Brito Querido, J, Myasnikov, A.G, Mancera-Martinez, E, Renaud, A, Kuhn, L, Hashem, Y. | | Deposit date: | 2016-05-18 | | Release date: | 2016-07-13 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | eIF3 Peripheral Subunits Rearrangement after mRNA Binding and Start-Codon Recognition.
Mol.Cell, 63, 2016
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7OE2
 | | Model of closed pentamer of the Haliangium ochraceum encapsulin from symmetry expansion of icosahedral single particle reconstruction | | Descriptor: | Haliangium ochraceum Encapsulated ferritin localisation sequence, Linocin_M18 bacteriocin protein | | Authors: | Marles-Wright, J, Basle, A, Clarke, D.J, Ross, J. | | Deposit date: | 2021-05-01 | | Release date: | 2022-02-09 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Pore dynamics and asymmetric cargo loading in an encapsulin nanocompartment.
Sci Adv, 8, 2022
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6THZ
 | | IRAK4 IN COMPLEX WITH inhibitor | | Descriptor: | 7-fluoranyl-~{N}-[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-4-(1-methylcyclopropyl)oxy-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine, Interleukin-1 receptor-associated kinase 4 | | Authors: | Xue, Y, Aagaard, A, Degorce, S.L. | | Deposit date: | 2019-11-21 | | Release date: | 2020-10-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors.
Bioorg.Med.Chem., 28, 2020
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3NY9
 | | Crystal structure of the human beta2 adrenergic receptor in complex with a novel inverse agonist | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Beta-2 adrenergic receptor, Lysozyme, ... | | Authors: | Fenalti, G, Wacker, D, Brown, M.A, Katritch, V, Abagyan, R, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | | Deposit date: | 2010-07-14 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Conserved Binding Mode of Human beta(2) Adrenergic Receptor Inverse Agonists and Antagonist Revealed by X-ray Crystallography
J.Am.Chem.Soc., 132, 2010
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