8RZI
 
 | | ZgGH129 from Zobellia galactanivorans soaked with 1,2-diF-ADG (3,6-Anhydro-2-deoxy-2-fluoro-a-D-galactopyranosyl fluoride) resulting in a trapped glycosyl-enzyme intermediate. | | Descriptor: | (1~{R},4~{S},5~{S},8~{S})-4-fluoranyl-2,6-dioxabicyclo[3.2.1]octan-8-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Roret, T, Czjzek, M, Ficko-Blean, E. | | Deposit date: | 2024-02-12 | | Release date: | 2024-07-31 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Constrained Catalytic Itinerary of a Retaining 3,6-Anhydro-D-Galactosidase, a Key Enzyme in Red Algal Cell Wall Degradation.
Angew.Chem.Int.Ed.Engl., 63, 2024
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6A6C
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6PXO
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5MHS
 | | T1L reovirus sigma1 complexed with 5C6 Fab fragments | | Descriptor: | 5C6 Fab heavy chain, 5C6 Fab light chain, Outer capsid protein sigma-1 | | Authors: | Stehle, T, Dietrich, M.H. | | Deposit date: | 2016-11-25 | | Release date: | 2016-12-21 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Structural Insights into Reovirus sigma 1 Interactions with Two Neutralizing Antibodies.
J. Virol., 91, 2017
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4YO0
 | | Crystal structure of monoclonal anti-human podoplanin antibody NZ-1 with bound PA peptide | | Descriptor: | 1,2-ETHANEDIOL, Heavy chain of antigen binding fragment, Fab, ... | | Authors: | Fujii, Y, Kitago, Y, Arimori, T, Takagi, J. | | Deposit date: | 2015-03-11 | | Release date: | 2016-03-02 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Tailored placement of a turn-forming PA tag into the structured domain of a protein to probe its conformational state
J.Cell.Sci., 129, 2016
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6TT0
 | | Crystal structure of a potent and reversible dual binding site Acetylcholinesterase chiral inhibitor | | Descriptor: | (1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | Authors: | de la Mora, E, Mangiatordi, G.F, Belviso, B.D, Caliandro, R, Colletier, J.P, Catto, M. | | Deposit date: | 2019-12-22 | | Release date: | 2020-06-10 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.80003023 Å) | | Cite: | Chiral Separation, X-ray Structure, and Biological Evaluation of a Potent and Reversible Dual Binding Site AChE Inhibitor.
Acs Med.Chem.Lett., 11, 2020
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4HEY
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5XET
 | | Crystal structure of Mycobacterium tuberculosis methionyl-tRNA synthetase bound by methionyl-adenylate (Met-AMP) | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Methionine--tRNA ligase, ... | | Authors: | Wang, W, Qin, B, Wojdyla, J.A, Wang, M, Gao, X, Cui, S. | | Deposit date: | 2017-04-06 | | Release date: | 2018-07-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structural characterization of free-state and product-stateMycobacterium tuberculosismethionyl-tRNA synthetase reveals an induced-fit ligand-recognition mechanism.
IUCrJ, 5, 2018
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9D6Y
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8JHH
 | | Glycoside hydrolase family 55 endo-beta-1,3-glucanase from Microdochium nivale | | Descriptor: | GLYCEROL, MnLam55A | | Authors: | Ota, T, Saburi, W, Yamashita, K, Tagami, T, Yu, J, Komba, S, Jewell, L.E, Hsiang, T, Imai, R, Yao, M, Mori, H. | | Deposit date: | 2023-05-23 | | Release date: | 2024-04-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular mechanism for endo-type action of glycoside hydrolase family 55 endo-beta-1,3-glucanase on beta 1-3/1-6-glucan.
J.Biol.Chem., 299, 2023
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9D6Z
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5KA5
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6HMQ
 | | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE BENZOTRIAZOLE-TYPE INHIBITOR MB002 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, ... | | Authors: | Niefind, K, Lindenblatt, D, Applegate, V.M, Jose, J, Le Borgne, M. | | Deposit date: | 2018-09-12 | | Release date: | 2019-03-27 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
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8S1T
 | | BzdNO-cyclohexa-1,5-diene-1-carboxy-CoA complex | | Descriptor: | 1,5 Dienoyl-CoA, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BzdN, ... | | Authors: | Ermler, U, Boll, M, Fuchs, J, Demmer, U. | | Deposit date: | 2024-02-16 | | Release date: | 2025-03-05 | | Last modified: | 2025-09-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Enzymatic Birch reduction via hydrogen atom transfer at [4Fe-4S]-OH 2 and [8Fe-9S] clusters.
Nat Commun, 16, 2025
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9D71
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3O7M
 | | 1.98 Angstrom resolution crystal structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-2) from Bacillus anthracis str. 'Ames Ancestor' | | Descriptor: | BETA-MERCAPTOETHANOL, GLYCEROL, Hypoxanthine phosphoribosyltransferase, ... | | Authors: | Halavaty, A.S, Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-07-30 | | Release date: | 2010-09-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | 1.98 Angstrom resolution crystal structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-2) from Bacillus anthracis str. 'Ames Ancestor'
TO BE PUBLISHED
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4HEW
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5KD7
 | | Crystal Structure of Murine MHC-I H-2Dd in complex with Murine Beta2-Microglobulin and a Variant of Peptide (PV9) of HIV gp120 MN Isolate (IGPGRAFYV) | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Jiang, J, Natarajan, K, Margulies, D. | | Deposit date: | 2016-06-07 | | Release date: | 2017-10-11 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Effects of Cross-Presentation, Antigen Processing, and Peptide Binding in HIV Evasion of T Cell Immunity.
J. Immunol., 200, 2018
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6HLP
 | | Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist Netupitant | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[3,5-bis(trifluoromethyl)phenyl]-~{N},2-dimethyl-~{N}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide, CITRIC ACID, ... | | Authors: | Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A. | | Deposit date: | 2018-09-11 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists.
Nat Commun, 10, 2019
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4HF3
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1E92
 | | Pteridine reductase 1 from Leishmania major complexed with NADP+ and dihydrobiopterin | | Descriptor: | 1,2-ETHANEDIOL, 7,8-DIHYDROBIOPTERIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Schuettelkopf, A.W, Hunter, W.N. | | Deposit date: | 2000-10-04 | | Release date: | 2001-10-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Pteridine Reductase Mechanism Correlates Pterin Metabolism with Drug Resistance in Trypanosomatid Parasites
Nat.Struct.Biol., 8, 2001
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7EO3
 | | X-ray structure analysis of beita-1,3-glucanase | | Descriptor: | 1,3-beta-glucanase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION | | Authors: | Wan, Q, Feng, J, Xu, S. | | Deposit date: | 2021-04-21 | | Release date: | 2022-03-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.141 Å) | | Cite: | Identification and structural analysis of a thermophilic beta-1,3-glucanase from compost
Bioresour Bioprocess, 8, 2021
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8AB3
 | | Crystal Structure of the Lactate Dehydrogenase of Cyanobacterium Aponinum in complex with oxamate, NADH and FBP. | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1,6-di-O-phosphono-beta-D-fructofuranose, L-lactate dehydrogenase, ... | | Authors: | Robin, A.Y, Girard, E, Madern, D. | | Deposit date: | 2022-07-04 | | Release date: | 2022-07-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.616 Å) | | Cite: | Deciphering Evolutionary Trajectories of Lactate Dehydrogenases Provides New Insights into Allostery.
Mol.Biol.Evol., 40, 2023
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4YU2
 | | Crystal structure of DYRK1A with harmine-derivatized AnnH-75 inhibitor | | Descriptor: | (1-chloro-7-methoxy-9H-beta-carbolin-9-yl)acetonitrile, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | | Authors: | Chaikuad, A, Wurzlbauer, A, Nowak, R, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-03-18 | | Release date: | 2015-03-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | How to Separate Kinase Inhibition from Undesired Monoamine Oxidase A Inhibition-The Development of the DYRK1A Inhibitor AnnH75 from the Alkaloid Harmine.
Molecules, 25, 2020
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6KVI
 | | Crystal structure of UDP-SrUGT76G1 | | Descriptor: | UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE | | Authors: | Li, J.X, Liu, Z.F, Wang, Y, Zhang, P. | | Deposit date: | 2019-09-04 | | Release date: | 2019-11-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.598 Å) | | Cite: | Structural Insights into the Catalytic Mechanism of a Plant Diterpene Glycosyltransferase SrUGT76G1.
Plant Commun., 1, 2020
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