5N62
 
 | | Human TTR crystals soaked in manganese chloride. | | Descriptor: | MANGANESE (II) ION, Transthyretin | | Authors: | Ciccone, L, Savko, M, Shepard, W, Stura, E.A. | | Deposit date: | 2017-02-14 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Copper mediated amyloid-beta binding to Transthyretin.
Sci Rep, 8, 2018
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7UAU
 | | The crystal structure of the K137A mutant of E. coli YGGS in complex with PLP | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein, SULFATE ION | | Authors: | Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K. | | Deposit date: | 2022-03-14 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
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8QG0
 | | Archaeoglobus fulgidus AfAgo complex with AfAgo-N protein (fAfAgo) bound with 17 nt RNA guide and 17 nt DNA target | | Descriptor: | AfAgo-N protein, DNA target 17 nt, Piwi protein, ... | | Authors: | Manakova, E.N, Zaremba, M, Pocevicuite, R, Golovinas, E, Zagorskaite, E, Silanskas, A. | | Deposit date: | 2023-09-05 | | Release date: | 2024-01-24 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | The missing part: the Archaeoglobus fulgidus Argonaute forms a functional heterodimer with an N-L1-L2 domain protein.
Nucleic Acids Res., 52, 2024
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6W2J
 | | CPS1 bound to allosteric inhibitor H3B-374 | | Descriptor: | (2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone, 1,2-ETHANEDIOL, Carbamoyl-phosphate synthase [ammonia], ... | | Authors: | Larsen, N.A, Nguyen, T.V. | | Deposit date: | 2020-03-05 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Discovery of 2,6-Dimethylpiperazines as Allosteric Inhibitors of CPS1.
Acs Med.Chem.Lett., 11, 2020
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7UBP
 | | The crystal structure of the K36A/K137A double mutant of E. coli YGGS in complex with PLP | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein, SULFATE ION | | Authors: | Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K. | | Deposit date: | 2022-03-15 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
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5N3S
 | | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-Hydroxybenzamide | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-HYDROXYBENZAMIDE, DIMETHYL SULFOXIDE, ... | | Authors: | Siefker, C, Heine, A, Klebe, G. | | Deposit date: | 2017-02-08 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 2020
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6T5Z
 | | Crystal structure of an AA10 LPMO from Photorhabdus luminescens | | Descriptor: | COPPER (II) ION, Chitin-binding type-4 domain-containing protein | | Authors: | Munzone, A, El Kerdi, B, Reglier, M, Royant, A, Simaan, A.J, Decroos, C. | | Deposit date: | 2019-10-17 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.60000312 Å) | | Cite: | Characterization of a bacterial copper-dependent lytic polysaccharide monooxygenase with an unusual second coordination sphere.
Febs J., 287, 2020
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6W32
 | | Crystal structure of Sfh5 | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Phosphatidylinositol transfer protein SFH5 | | Authors: | Gulten, G, Khan, D, Aggarwal, A, Krieger, I, Sacchettini, J.C, Bankaitis, V.A. | | Deposit date: | 2020-03-08 | | Release date: | 2020-11-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A Sec14-like phosphatidylinositol transfer protein paralog defines a novel class of heme-binding proteins.
Elife, 9, 2020
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7ANK
 | | Crystal structure of sarcomeric protein FATZ-1 (d91-FATZ-1 construct) in complex with half dimer of alpha-actinin-2 | | Descriptor: | Alpha-actinin-2, Myozenin-1 | | Authors: | Sponga, A, Arolas, J.L, Rodriguez Chamorro, A, Mlynek, G, Hollerl, E, Schreiner, C, Pedron, M, Kostan, J, Ribeiro, E.A, Djinovic-Carugo, K. | | Deposit date: | 2020-10-12 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.204 Å) | | Cite: | Order from disorder in the sarcomere: FATZ forms a fuzzy but tight complex and phase-separated condensates with alpha-actinin.
Sci Adv, 7, 2021
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8VKT
 | | Crystallographic structure of dimetalated DapE from Enterococcus faecium | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Probable succinyl-diaminopimelate desuccinylase, ... | | Authors: | Gonzalez-Segura, L, Diaz-Vilchis, A, Terrazas-Lopez, M, Diaz-Sanchez, A.G. | | Deposit date: | 2024-01-09 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.398 Å) | | Cite: | The three-dimensional structure of DapE from Enterococcus faecium reveals new insights into DapE/ArgE subfamily ligand specificity.
Int.J.Biol.Macromol., 270, 2024
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8G99
 | | Partial auto-inhibitory complex of Xenopus laevis DNA polymerase alpha-primase | | Descriptor: | DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, DNA primase large subunit, ... | | Authors: | Mullins, E.A, Chazin, W.J, Eichman, B.F. | | Deposit date: | 2023-02-21 | | Release date: | 2023-04-12 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase.
Nat.Struct.Mol.Biol., 31, 2024
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8V11
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6QKM
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8G9F
 | | Complete auto-inhibitory complex of Xenopus laevis DNA polymerase alpha-primase | | Descriptor: | DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, DNA primase, ... | | Authors: | Mullins, E.A, Chazin, W.J, Eichman, B.F. | | Deposit date: | 2023-02-21 | | Release date: | 2023-04-12 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase.
Nat.Struct.Mol.Biol., 31, 2024
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6NTH
 | | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by (S) Stereoisomer of A-232 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | Authors: | Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D. | | Deposit date: | 2019-01-29 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.421 Å) | | Cite: | Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents
To Be Published
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8V10
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6Q2Y
 | | Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd3 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Metallo-beta-lactamase type 2, ... | | Authors: | Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Venturelli, A, Celenza, G, Costi, M.P, Tondi, D, Cendron, L. | | Deposit date: | 2018-12-03 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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8RCQ
 | | Structural flexibility of Nucleoprotein of the Toscana virus in the presence of a nanobody. | | Descriptor: | Nucleoprotein, VHH | | Authors: | Papageorgiou, N, Ferron, F, Coutard, B, Lichiere, J, Baklouti, A. | | Deposit date: | 2023-12-06 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural flexibility of Toscana virus nucleoprotein in the presence of a single-chain camelid antibody.
Acta Crystallogr D Struct Biol, 80, 2024
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6QCK
 | | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with FB262 | | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, 2-[2-(1,3-benzodioxol-2-yl)ethyl]benzoic acid, DIMETHYL SULFOXIDE, ... | | Authors: | Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G. | | Deposit date: | 2018-12-28 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Mutational and structural studies uncover crucial amino acids determining activity and stability of 17 beta-HSD14.
J.Steroid Biochem.Mol.Biol., 189, 2019
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6QCM
 | | Cryo em structure of the Listeria stressosome | | Descriptor: | RsbR protein, RsbR protein,RsbR protein, RsbS protein | | Authors: | Williams, A.H, Redzej, A, Waksman, G, Cossart, P. | | Deposit date: | 2018-12-28 | | Release date: | 2019-08-21 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.21 Å) | | Cite: | The cryo-electron microscopy supramolecular structure of the bacterial stressosome unveils its mechanism of activation.
Nat Commun, 10, 2019
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7U8R
 | | Structure of porcine kidney V-ATPase with SidK, Rotary State 3 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATPase H(+)-transporting lysosomal accessory protein 2, ATPase H+ transporting accessory protein 1, ... | | Authors: | Tan, Y.Z, Keon, K.A. | | Deposit date: | 2022-03-09 | | Release date: | 2022-07-06 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | CryoEM of endogenous mammalian V-ATPase interacting with the TLDc protein mEAK-7.
Life Sci Alliance, 5, 2022
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4YU7
 | | Crystal structure of Piratoxin I (PrTX-I) complexed to caffeic acid | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Basic phospholipase A2 homolog piratoxin-1, CAFFEIC ACID, ... | | Authors: | Fernandes, C.A.H, Fontes, M.R.M. | | Deposit date: | 2015-03-18 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.647 Å) | | Cite: | Structural Basis for the Inhibition of a Phospholipase A2-Like Toxin by Caffeic and Aristolochic Acids.
Plos One, 10, 2015
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6QE9
 | | The X-ray structure of the adduct formed in the reaction between bovine pancreatic ribonuclease and complex I, a pentacoordinate Pt(II) compound containing 2,9-dimethyl-1,10-phenanthroline, dimethylfumarate, methyl and iodine as ligands | | Descriptor: | Ribonuclease pancreatic, SULFATE ION, pentacoordinate Pt(II) compound | | Authors: | Merlino, A, Ferraro, G. | | Deposit date: | 2019-01-07 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Reaction with Proteins of a Five-Coordinate Platinum(II) Compound.
Int J Mol Sci, 20, 2019
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5LLB
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5LFO
 | | Crystal structure of murine N1-acetylpolyamine oxidase in complex with N1-acetylspermine | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide, ... | | Authors: | Sjogren, T, Aagaard, A, Wassvik, C, Snijder, A, Barlind, L. | | Deposit date: | 2016-07-04 | | Release date: | 2017-03-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | The Structure of Murine N(1)-Acetylspermine Oxidase Reveals Molecular Details of Vertebrate Polyamine Catabolism.
Biochemistry, 56, 2017
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