7K4V
 
 | | Crystal structure of Kemp Eliminase HG3.17 | | Descriptor: | Endo-1,4-beta-xylanase, TETRAETHYLENE GLYCOL | | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | | Deposit date: | 2020-09-16 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
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8CT2
 | | Local refinement of AQP1 tetramer (C1; refinement mask included D1 of protein 4.2 and Ankyrin-1 AR1-5) in Class 2 of erythrocyte ankyrin-1 complex | | Descriptor: | Aquaporin-1, CHOLESTEROL | | Authors: | Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. | | Deposit date: | 2022-05-13 | | Release date: | 2022-07-20 | | Last modified: | 2022-07-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
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6BJ7
 | | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 4-chloro-6-methylpyrimidin-2-amine | | Descriptor: | 4-chloro-6-methylpyrimidin-2-amine, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | | Deposit date: | 2017-11-05 | | Release date: | 2018-11-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 4-chloro-6-methylpyrimidin-2-amine
To Be Published
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6I0V
 | | Crystal structure of DmTailor in complex with CACAGU RNA | | Descriptor: | MAGNESIUM ION, RNA (5'-R(*CP*AP*CP*AP*GP*U)-3'), Terminal uridylyltransferase Tailor | | Authors: | Kroupova, A, Ivascu, A, Jinek, M. | | Deposit date: | 2018-10-26 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Structural basis for acceptor RNA substrate selectivity of the 3' terminal uridylyl transferase Tailor.
Nucleic Acids Res., 47, 2019
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6M0T
 | | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Cladosporin derivative (CL-2) | | Descriptor: | (3R)-3-[(R)-[(2R,6S)-6-methyloxan-2-yl]-oxidanyl-methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, LYSINE, Lysine--tRNA ligase | | Authors: | Babbar, P, Sharma, A, Manickam, Y. | | Deposit date: | 2020-02-22 | | Release date: | 2021-04-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Design, Synthesis, and Structural Analysis of Cladosporin-Based Inhibitors of Malaria Parasites.
Acs Infect Dis., 7, 2021
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5Y9T
 | | Crystal Structure of EGFR T790M mutant in complex with naquotinib | | Descriptor: | 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide, Epidermal growth factor receptor | | Authors: | Mimasu, S, Tomimoto, Y, Maiko, I, Yasushi, A, Tatsuya, N. | | Deposit date: | 2017-08-28 | | Release date: | 2018-07-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Pharmacological and Structural Characterizations of Naquotinib, a Novel Third-Generation EGFR Tyrosine Kinase Inhibitor, inEGFR-Mutated Non-Small Cell Lung Cancer.
Mol. Cancer Ther., 17, 2018
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7A5S
 | | Complex of SARS-CoV-2 spike and CR3022 Fab (Homogeneous Refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CR3022 Fab Heavy Chain, CR3022 Fab Light Chain, ... | | Authors: | Wrobel, A.G, Benton, D.J, Rosenthal, P.B, Gamblin, S.J. | | Deposit date: | 2020-08-21 | | Release date: | 2020-09-16 | | Last modified: | 2020-11-04 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Antibody-mediated disruption of the SARS-CoV-2 spike glycoprotein.
Nat Commun, 11, 2020
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6I0S
 | | Crystal structure of DmTailor in complex with UMPNPP | | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, MAGNESIUM ION, Terminal uridylyltransferase Tailor | | Authors: | Kroupova, A, Ivascu, A, Jinek, M. | | Deposit date: | 2018-10-26 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for acceptor RNA substrate selectivity of the 3' terminal uridylyl transferase Tailor.
Nucleic Acids Res., 47, 2019
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1LVU
 | | Crystal structure of calf spleen purine nucleoside phosphorylase in a new space group with full trimer in the asymmetric unit | | Descriptor: | 2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINE, CALCIUM ION, Purine nucleoside phosphorylase | | Authors: | Bzowska, A, Koellner, G, Wielgus-Kutrowska, B, Stroh, A, Raszewski, G, Holy, A, Steiner, T, Frank, J. | | Deposit date: | 2002-05-29 | | Release date: | 2003-09-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of calf spleen purine nucleoside phosphorylase with two full trimers in the asymmetric unit: important implications for the mechanism of catalysis
J.Mol.Biol., 342, 2004
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5KKA
 | | E. coli malate dehydrogenase with the inhibitor 6DHNAD | | Descriptor: | Malate dehydrogenase, [[(2~{R},3~{S},4~{R},5~{R})-5-(5-aminocarbonyl-2~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Meneely, K.M, Lamb, A.L, Moran, G.R. | | Deposit date: | 2016-06-21 | | Release date: | 2016-11-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Ligand binding phenomena that pertain to the metabolic function of renalase.
Arch.Biochem.Biophys., 612, 2016
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5D9K
 | | Rsk2 N-terminal Kinase in Complex with BI-D1870 | | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, GLYCEROL, Ribosomal protein S6 kinase alpha-3 | | Authors: | Appleton, B.A. | | Deposit date: | 2015-08-18 | | Release date: | 2015-09-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery of Potent and Selective RSK Inhibitors as Biological Probes.
J.Med.Chem., 58, 2015
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4YJ1
 | | Crystal structure of T. brucei MRB1590-ADP bound to poly-U RNA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Uncharacterized protein | | Authors: | Schumacher, M.A. | | Deposit date: | 2015-03-03 | | Release date: | 2015-08-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structures of the T. brucei kRNA editing factor MRB1590 reveal unique RNA-binding pore motif contained within an ABC-ATPase fold.
Nucleic Acids Res., 43, 2015
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5UUJ
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3J7H
 | | Structure of beta-galactosidase at 3.2-A resolution obtained by cryo-electron microscopy | | Descriptor: | Beta-galactosidase, MAGNESIUM ION | | Authors: | Bartesaghi, A, Matthies, D, Banerjee, S, Merk, A, Subramaniam, S. | | Deposit date: | 2014-06-30 | | Release date: | 2014-07-30 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure of beta-galactosidase at 3.2- angstrom resolution obtained by cryo-electron microscopy.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4RLE
 | | Crystal structure of the c-di-AMP binding PII-like protein DarA | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, NICKEL (II) ION, Uncharacterized protein YaaQ | | Authors: | Dickmanns, A, Neumann, P, Ficner, R. | | Deposit date: | 2014-10-16 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Identification, Characterization, and Structure Analysis of the Cyclic di-AMP-binding PII-like Signal Transduction Protein DarA.
J.Biol.Chem., 290, 2015
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4JI4
 | | Crystal Structure of 30S ribosomal subunit from Thermus thermophilus | | Descriptor: | 16S rRNA, MAGNESIUM ION, RIBOSOMAL PROTEIN S10, ... | | Authors: | Demirci, H, Wang, L, Murphy IV, F, Murphy, E, Carr, J, Blanchard, S, Jogl, G, Dahlberg, A.E, Gregory, S.T. | | Deposit date: | 2013-03-05 | | Release date: | 2013-11-06 | | Last modified: | 2013-12-04 | | Method: | X-RAY DIFFRACTION (3.692 Å) | | Cite: | The central role of protein S12 in organizing the structure of the decoding site of the ribosome.
Rna, 19, 2013
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5CQE
 | | 2.1 Angstrom resolution crystal structure of matrix protein 1 (M1; residues 1-164) from Influenza A virus (A/Puerto Rico/8/34(H1N1)) | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Halavaty, A.S, Minasov, G, Flores, K, Dubrovska, I, Grimshaw, S, Shuvalova, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-07-21 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 2.1 Angstrom resolution crystal structure of matrix protein 1 (M1; residues 1-164) from Influenza A virus (A/Puerto Rico/8/34(H1N1))
To Be Published
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4YKL
 | | Hnt3 in complex with DNA and guanosine | | Descriptor: | Aprataxin-like protein, CHLORIDE ION, DNA (5'-D(*GP*AP*AP*TP*CP*AP*TP*AP*AP*C)-3'), ... | | Authors: | Jacewicz, A, Chauleau, M, Shuman, S. | | Deposit date: | 2015-03-04 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | DNA3'pp5'G de-capping activity of aprataxin: effect of cap nucleoside analogs and structural basis for guanosine recognition.
Nucleic Acids Res., 43, 2015
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7S4X
 | | Cas9:gRNA in complex with 18-20MM DNA, 1 minute time-point, kinked active conformation | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, NTS, ... | | Authors: | Bravo, J.P.K, Taylor, D.W, Liu, M.S, Johnson, K.A. | | Deposit date: | 2021-09-09 | | Release date: | 2022-03-02 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Structural basis for mismatch surveillance by CRISPR-Cas9.
Nature, 603, 2022
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8VII
 | | EgtB-IV from Crocosphaera subtropica, an ergothioneine-biosynthetic type IV sulfoxide synthase in complex with cysteine and hercynine | | Descriptor: | 1,2-ETHANEDIOL, CYSTEINE, MANGANESE (II) ION, ... | | Authors: | Ireland, K.A, Davis, K.M. | | Deposit date: | 2024-01-04 | | Release date: | 2024-08-07 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.621 Å) | | Cite: | Structural insights into the convergent evolution of sulfoxide synthase EgtB-IV, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA.
Structure, 2024
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6FG6
 | | Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 1 | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide | | Authors: | Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A. | | Deposit date: | 2018-01-10 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
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5UZ8
 | | Crystal Structure of Mouse Cadherin-23 EC22-24 | | Descriptor: | CALCIUM ION, CHLORIDE ION, Cadherin-23, ... | | Authors: | Patel, A, Jaiganesh, A, Sotomayor, M. | | Deposit date: | 2017-02-25 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Zooming in on Cadherin-23: Structural Diversity and Potential Mechanisms of Inherited Deafness.
Structure, 26, 2018
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5DE1
 | | Crystal structure of human IDH1 in complex with GSK321A | | Descriptor: | (7R)-1-(4-fluorobenzyl)-N-{3-[(1S)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Concha, N.O, Smallwood, A, Qi, H. | | Deposit date: | 2015-08-25 | | Release date: | 2015-10-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | New IDH1 mutant inhibitors for treatment of acute myeloid leukemia.
Nat.Chem.Biol., 11, 2015
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4YQT
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4YNG
 | | Twinned pyruvate kinase from E. coli in the T-state | | Descriptor: | Pyruvate kinase I, SULFATE ION | | Authors: | Donovan, K.A, Dobson, R.C.J. | | Deposit date: | 2015-03-10 | | Release date: | 2015-03-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Grappling with anisotropic data, pseudo-merohedral twinning and pseudo-translational noncrystallographic symmetry: a case study involving pyruvate kinase.
Acta Crystallogr D Struct Biol, 72, 2016
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