5Y5I
 
 | | Time-resolved SFX structure of cytochrome P450nor: 20 ms after photo-irradiation of caged NO in the presence of NADH (NO-bound state), light data | | Descriptor: | GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ... | | Authors: | Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M. | | Deposit date: | 2017-08-09 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
|
|
8JB7
 | | Crystal structure of CMY-185 | | Descriptor: | Beta-lactamase, SULFATE ION | | Authors: | Kawai, A, Doi, Y. | | Deposit date: | 2023-05-08 | | Release date: | 2023-12-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural insights into the molecular mechanism of high-level ceftazidime-avibactam resistance conferred by CMY-185.
Mbio, 15, 2024
|
|
8VVL
 | | CCHFV GP38 bound to c13G8 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Hjorth, C.K, Mishra, A.K, McLellan, J.S. | | Deposit date: | 2024-01-31 | | Release date: | 2024-07-17 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crimean-Congo hemorrhagic fever survivors elicit protective non-neutralizing antibodies that target 11 overlapping regions on glycoprotein GP38.
Cell Rep, 43, 2024
|
|
6VLU
 | | Factor XIa in complex with compound 7 | | Descriptor: | CITRIC ACID, Coagulation factor XIa light chain, N-cyclohexyl-D-leucyl-N-[(1-aminoisoquinolin-6-yl)methyl]-4,4-difluoro-L-prolinamide | | Authors: | Lesburg, C.A, Fradera, X. | | Deposit date: | 2020-01-27 | | Release date: | 2020-05-06 | | Last modified: | 2020-10-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery.
J.Chem.Inf.Model., 60, 2020
|
|
5Y5X
 | | V/A-type ATPase/synthase from Thermus thermophilus, rotational state 1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, V-type ATP synthase alpha chain, V-type ATP synthase beta chain, ... | | Authors: | Nakanishi, A, Kishikawa, J, Tamakoshi, M, Mitsuoka, K, Yokoyama, K. | | Deposit date: | 2017-08-10 | | Release date: | 2018-01-17 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (5 Å) | | Cite: | Cryo EM structure of intact rotary H+-ATPase/synthase from Thermus thermophilus
Nat Commun, 9, 2018
|
|
8QPT
 | | Crystal structure of pyrophosphatase from Ogataea parapolymorpha | | Descriptor: | GLYCEROL, MAGNESIUM ION, inorganic diphosphatase | | Authors: | Matyuta, I.O, Rodina, E.V, Vorobyeva, N.N, Kurilova, S.A, Bezpalaya, E.Y, Boyko, K.M. | | Deposit date: | 2023-10-03 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structure of yeast mitochondrial type pyrophosphatase provides a model to study pathological mutations in its human ortholog.
Biochem.Biophys.Res.Commun., 738, 2024
|
|
5KXM
 | | Hen Egg White Lysozyme at 100K, Data set 3 | | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | | Deposit date: | 2016-07-20 | | Release date: | 2016-09-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.198 Å) | | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
|
|
4RYN
 | | Crystal structure of BcTSPO, type1 monomer | | Descriptor: | CACODYLATE ION, DODECYL-ALPHA-D-MALTOSIDE, Integral membrane protein, ... | | Authors: | Guo, Y, Liu, Q, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS) | | Deposit date: | 2014-12-15 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Protein structure. Structure and activity of tryptophan-rich TSPO proteins.
Science, 347, 2015
|
|
6FX2
 | | crystal structure of Pholiota squarrosa lectin in complex with a decasaccharide | | Descriptor: | beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine, beta-D-galactopyranose-(1-4)-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)]1-azido-beta-N-acetyl-D-glucosamine, lectin | | Authors: | Cabanettes, A, Varrot, A. | | Deposit date: | 2018-03-08 | | Release date: | 2018-07-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Recognition of Complex Core-Fucosylated N-Glycans by a Mini Lectin.
Angew. Chem. Int. Ed. Engl., 57, 2018
|
|
6VOC
 | | icosahedral symmetry reconstruction of brome mosaic virus (RNA 3+4) | | Descriptor: | Capsid protein | | Authors: | Beren, C, Cui, Y.X, Chakravarty, A, Yang, X, Rao, A.L.N, Knobler, C.M, Zhou, Z.H, Gelbart, W.M. | | Deposit date: | 2020-01-30 | | Release date: | 2020-05-20 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Genome organization and interaction with capsid protein in a multipartite RNA virus.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6I14
 | | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 9 | | Descriptor: | 2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide, ACETATE ION, Fascin | | Authors: | Schuettelkopf, A.W. | | Deposit date: | 2018-10-27 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
|
|
6FT7
 | | Crystal structure of CLK3 in complex with compound 8a | | Descriptor: | 1,2-ETHANEDIOL, 3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one, Dual specificity protein kinase CLK3, ... | | Authors: | Chaikuad, A, Walter, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-20 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Molecular structures of cdc2-like kinases in complex with a new inhibitor chemotype.
PLoS ONE, 13, 2018
|
|
8SF9
 | | Crystal structure of the engineered SsoPox variant IG7 - Alternative state | | Descriptor: | Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION | | Authors: | Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H. | | Deposit date: | 2023-04-10 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
|
|
6FTM
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-048 | | Descriptor: | 1,2-ETHANEDIOL, 3-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}prop-2-ynamide, FORMIC ACID, ... | | Authors: | Singh, A.K, Brown, D.G. | | Deposit date: | 2018-02-22 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-048
To be published
|
|
6H8F
 | | Fragment of the C-terminal domain of the TssA component of the type VI secretion system from Burkholderia cenocepacia | | Descriptor: | TssA | | Authors: | Dix, S.R, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Brooker, T.A, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S. | | Deposit date: | 2018-08-02 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural insights into the function of type VI secretion system TssA subunits.
Nat Commun, 9, 2018
|
|
6VP5
 | | Ethylene forming enzyme (EFE) D191E variant in complex with Fe(II), L-arginine, and 2OG | | Descriptor: | 2-OXOGLUTARIC ACID, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ... | | Authors: | Davis, K.M, Copeland, R.A, Boal, A.K. | | Deposit date: | 2020-02-01 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | An Iron(IV)-Oxo Intermediate Initiating l-Arginine Oxidation but Not Ethylene Production by the 2-Oxoglutarate-Dependent Oxygenase, Ethylene-Forming Enzyme.
J.Am.Chem.Soc., 143, 2021
|
|
6FIX
 | | antitoxin GraA in complex with its operator | | Descriptor: | DNA (30-MER), XRE family transcriptional regulator | | Authors: | Talavera, A, Loris, R. | | Deposit date: | 2018-01-19 | | Release date: | 2019-01-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | A dual role in regulation and toxicity for the disordered N-terminus of the toxin GraT.
Nat Commun, 10, 2019
|
|
8D3H
 | |
6RD1
 | | Ruminococcus gnavus sialic acid aldolase catalytic lysine mutant in complex with sialic acid | | Descriptor: | 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid, Putative N-acetylneuraminate lyase | | Authors: | Owen, C.D, Bell, A, Juge, N, Walsh, M.A. | | Deposit date: | 2019-04-12 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.892 Å) | | Cite: | Elucidation of a sialic acid metabolism pathway in mucus-foraging Ruminococcus gnavus unravels mechanisms of bacterial adaptation to the gut.
Nat Microbiol, 4, 2019
|
|
5F0P
 | | Structure of retromer VPS26-VPS35 subunits bound to SNX3 and DMT1(L557M) (SeMet labeled) | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Natural resistance-associated macrophage protein 2, ... | | Authors: | Lucas, M, Gershlick, D, Vidaurrazaga, A, Rojas, A.L, Bonifacino, J.S, Hierro, A. | | Deposit date: | 2015-11-27 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Structural Mechanism for Cargo Recognition by the Retromer Complex.
Cell, 167, 2016
|
|
8CQZ
 | | Homo sapiens Get3 in complex with the Get1 cytoplasmic domain | | Descriptor: | ATPase ASNA1, Guided entry of tail-anchored proteins factor 1 | | Authors: | McDowell, M.A, Heimes, M, Wild, K, Saar, D, Sinning, I. | | Deposit date: | 2023-03-07 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The GET insertase exhibits conformational plasticity and induces membrane thinning.
Nat Commun, 14, 2023
|
|
6XC3
 | | Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CC12.1 and CR3022 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.1 heavy chain, CC12.1 light chain, ... | | Authors: | Yuan, M, Liu, H, Wu, N.C, Zhu, X, Wilson, I.A. | | Deposit date: | 2020-06-08 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.698 Å) | | Cite: | Structural basis of a shared antibody response to SARS-CoV-2.
Science, 369, 2020
|
|
8A2T
 | | Cryo-EM structure of F-actin in the Mg2+-ADP nucleotide state. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Oosterheert, W, Klink, B.U, Belyy, A, Pospich, S, Raunser, S. | | Deposit date: | 2022-06-06 | | Release date: | 2022-08-10 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (2.24 Å) | | Cite: | Structural basis of actin filament assembly and aging.
Nature, 611, 2022
|
|
8A2Z
 | | Cryo-EM structure of F-actin in the Ca2+-ADP nucleotide state. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Oosterheert, W, Klink, B.U, Belyy, A, Pospich, S, Raunser, S. | | Deposit date: | 2022-06-06 | | Release date: | 2022-08-10 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (2.15 Å) | | Cite: | Structural basis of actin filament assembly and aging.
Nature, 611, 2022
|
|
6VUZ
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT353 | | Descriptor: | 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2020-02-16 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
|
|
