8B97
 
 | | N-terminal beta-trefoil lectin domain of the Laccaria bicolor lectin in complex with N-acetyl-lactosamine | | Descriptor: | Beta-trefoil domain of the LBL lectin, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Acebron, I, Campanero-Rhodes, M.A, Solis, D, Menendez, M, Garcia, C, Lillo, M.P, Mancheno, J.M. | | Deposit date: | 2022-10-05 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Atomic crystal structure and sugar specificity of a beta-trefoil lectin domain from the ectomycorrhizal basidiomycete Laccaria bicolor.
Int.J.Biol.Macromol., 233, 2023
|
|
3LL2
 | |
1M1Q
 | | P222 oxidized structure of the tetraheme cytochrome c from Shewanella oneidensis MR1 | | Descriptor: | HEME C, SULFATE ION, small tetraheme cytochrome c | | Authors: | Leys, D, Meyer, T.E, Tsapin, A.I, Nealson, K.H, Cusanovich, M.A, Van Beeumen, J.J. | | Deposit date: | 2002-06-20 | | Release date: | 2002-08-14 | | Last modified: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Crystal structures at atomic resolution reveal the novel concept of 'electron-harvesting' as a role for the small tetraheme cytochrome c
J.Biol.Chem., 277, 2002
|
|
7TH6
 | | Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B21 | | Descriptor: | 4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}-2-methyl[1,1'-biphenyl]-4-carboxylic acid, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | | Authors: | Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. | | Deposit date: | 2022-01-10 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors.
Nat.Chem.Biol., 18, 2022
|
|
4OO4
 | |
8GEW
 | | H-FABP crystal soaked in a bromo palmitic acid solution | | Descriptor: | 2-Bromopalmitic acid, Fatty acid-binding protein, heart, ... | | Authors: | Howard, E, Cousido-Siah, A, Alvarez, A, Espinosa, Y, Podjarny, A, Mitschler, A, Carlevaro, M. | | Deposit date: | 2023-03-07 | | Release date: | 2023-08-30 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Lipid exchange in crystal-confined fatty acid binding proteins: X-ray evidence and molecular dynamics explanation.
Proteins, 91, 2023
|
|
3LL1
 | |
7P24
 | |
3GOE
 | | Molecular Mimicry of SUMO promotes DNA repair | | Descriptor: | CALCIUM ION, DNA repair protein rad60 | | Authors: | Perry, J.J.P. | | Deposit date: | 2009-03-19 | | Release date: | 2009-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Molecular mimicry of SUMO promotes DNA repair.
Nat.Struct.Mol.Biol., 16, 2009
|
|
8B5M
 | | Crystal structure of GH47 alpha-1,2-mannosidase from Caulobacter K31 strain in complex with cyclosulfamidate inhibitor | | Descriptor: | (3aR,4S,5S,6R,7R,7aS)-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydro-3H-benzo[d][1,2,3]oxathiazole-4,5,6-triol, CALCIUM ION, Mannosyl-oligosaccharide 1,2-alpha-mannosidase, ... | | Authors: | Males, A, Davies, G.J. | | Deposit date: | 2022-09-23 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | GH47 and Cyclosulfamidate
To Be Published
|
|
7A7Y
 | |
8GK9
 | | Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, LEU-AIB-ALA-AIB-LEU-CYS-GLN-AIB-LEU, ... | | Authors: | Hess, S.S, Nguyen, A.I. | | Deposit date: | 2023-03-17 | | Release date: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Noncovalent Peptide Assembly Enables Crystalline, Permutable, and Reactive Thiol Frameworks.
J.Am.Chem.Soc., 145, 2023
|
|
8BJL
 | |
5D99
 | | 3DW4 redetermined by direct methods starting from random phase angles | | Descriptor: | GLYCEROL, RNA (27-MER) hairpin from sarcin-ricin domain of E. coli 23S rRNA | | Authors: | Mooers, B.H.M. | | Deposit date: | 2015-08-18 | | Release date: | 2016-04-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Direct-methods structure determination of a trypanosome RNA-editing substrate fragment with translational pseudosymmetry.
Acta Crystallogr D Struct Biol, 72, 2016
|
|
7FYV
 | | Crystal Structure of human FABP4 in complex with 5-(4-chlorophenyl)-9-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene-8-carboxylic acid | | Descriptor: | (3aR,4R,5R,6S,7R,7aR)-3-(4-chlorophenyl)-6-methyl-3a,4,5,6,7,7a-hexahydro-4,7-methano-1,2-benzoxazole-5-carboxylic acid, 1,2-ETHANEDIOL, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Wickens, J, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
|
|
6QLR
 | | Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative 5 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, Galectin-3 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2019-02-01 | | Release date: | 2019-07-10 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
|
|
6XUM
 | | Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) | | Descriptor: | Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Hubert, L.-S, Ley, M, Heine, A, Klebe, G. | | Deposit date: | 2020-01-20 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
To Be Published
|
|
4E0K
 | | Crystal Structure of the amyloid-fibril forming peptide KDWSFY derived from human Beta 2 Microglobulin (58-63) | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Amyloidogenic peptide segment KDWSFY, SODIUM ION | | Authors: | Zhao, M, Liu, C, Sawaya, M.R, Eisenberg, D. | | Deposit date: | 2012-03-04 | | Release date: | 2012-12-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates.
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
5RDS
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 49 | | Descriptor: | Endothiapepsin | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-03-24 | | Release date: | 2020-06-03 | | Last modified: | 2020-06-17 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
|
|
7RWG
 | | "Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-43192 | | Descriptor: | (8R)-8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Jin, L, Padyana, A.K. | | Deposit date: | 2021-08-19 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
|
|
7A2Y
 | |
4ACJ
 | | Crystal structure of the TLDC domain of Oxidation resistance protein 2 from zebrafish | | Descriptor: | WU:FB25H12 PROTEIN, | | Authors: | Blaise, M, B Alsarraf, H.M.A, Wong, J.E.M.M, Midtgaard, S.R, Laroche, F, Schack, L, Spaink, H, Stougaard, J, Thirup, S. | | Deposit date: | 2011-12-15 | | Release date: | 2012-02-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Crystal Structure of the Tldc Domain of Oxidation Resistance Protein 2 from Zebrafish.
Proteins, 80, 2012
|
|
6X7J
 | |
5HQI
 | | Insulin with proline analog HzP at position B28 in the T2 state | | Descriptor: | Insulin A-Chain, Insulin B-Chain | | Authors: | Lieblich, S.A, Fang, K.Y, Cahn, J.K.B, Tirrell, D.A. | | Deposit date: | 2016-01-21 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | 4S-Hydroxylation of Insulin at ProB28 Accelerates Hexamer Dissociation and Delays Fibrillation.
J. Am. Chem. Soc., 139, 2017
|
|
6RGP
 | | Single crystal serial study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi at sub-atomic resolution. Second structure of the series with 165 KGy dose. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Laccase 2, ... | | Authors: | Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N. | | Deposit date: | 2019-04-17 | | Release date: | 2019-05-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | The subatomic resolution study of laccase inhibition by chloride and fluoride anions using single-crystal serial crystallography: insights into the enzymatic reaction mechanism.
Acta Crystallogr D Struct Biol, 75, 2019
|
|
