7NX6
 
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab Heavy chain, ... | | Authors: | Zhou, D, Ren, J, Stuart, D. | | Deposit date: | 2021-03-17 | | Release date: | 2021-04-07 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
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8OOJ
 | | Crystal structure of dCK C4S-S74E mutant in complex with EdC and UDP | | Descriptor: | 4-azanyl-1-[(2~{R},4~{S},5~{R})-5-ethynyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | | Authors: | Saez-Ayala, M, Rebuffet, E, Betzi, S, Morelli, X. | | Deposit date: | 2023-04-05 | | Release date: | 2023-12-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 4'-Ethynyl-2'-Deoxycytidine (EdC) Preferentially Targets Lymphoma and Leukemia Subtypes by Inducing Replicative Stress.
Mol.Cancer Ther., 23, 2024
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8G3E
 | | Crystal structure of human WDR5 in complex with (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide (compound 2, WDR5-MYC inhibitor) | | Descriptor: | (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide, WD repeat-containing protein 5 | | Authors: | Zhao, M. | | Deposit date: | 2023-02-07 | | Release date: | 2023-06-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction.
J.Med.Chem., 66, 2023
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8DAJ
 | | Structure and Biochemistry of a Promiscuous Thermophilic Polyhydroxybutyrate Depolymerase from Lihuaxuella thermophilia | | Descriptor: | 1,2-ETHANEDIOL, Esterase, PHB depolymerase family, ... | | Authors: | Thomas, G.M, Quirk, S, Huard, D.J.E, Lieberman, R.L. | | Deposit date: | 2022-06-13 | | Release date: | 2023-02-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Bioplastic degradation by a polyhydroxybutyrate depolymerase from a thermophilic soil bacterium.
Protein Sci., 31, 2022
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7NX7
 | | Crystal structure of the K417N mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Zhou, D, Ren, J, Stuart, D. | | Deposit date: | 2021-03-17 | | Release date: | 2021-04-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
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7NX8
 | | Crystal structure of the K417T mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Zhou, D, Ren, J, Stuart, D. | | Deposit date: | 2021-03-17 | | Release date: | 2021-04-07 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
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8WXI
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5K3S
 | | Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, bispyribac-sodium | | Descriptor: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid, Acetolactate synthase, ... | | Authors: | Garcia, M.D, Lonhienne, T, Guddat, L.W. | | Deposit date: | 2016-05-19 | | Release date: | 2017-02-08 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.873 Å) | | Cite: | Comprehensive understanding of acetohydroxyacid synthase inhibition by different herbicide families.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6E6W
 | | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-(2-methyl-4-(1H-tetrazol-5-yl)phenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid | | Descriptor: | 3-hydroxy-6-[2-methyl-4-(1H-tetrazol-5-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein | | Authors: | Dick, B.L, Morrison, C.N, Credille, C.V, Cohen, S.M. | | Deposit date: | 2018-07-25 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
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7NXC
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7NX9
 | | Crystal structure of the N501Y mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab heavy chain, ... | | Authors: | Zhou, D, Ren, J, Stuart, D. | | Deposit date: | 2021-03-17 | | Release date: | 2021-04-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
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4R1Y
 | | Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitor | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 3-(diethylamino)propyl (3-{[5-(3,4-dimethoxyphenyl)-2-oxo-2H-1,3,4-thiadiazin-3(6H)-yl]methyl}phenyl)carbamate, Hepatocyte growth factor receptor | | Authors: | Blaukat, A, Bladt, F, Friese-Hamim, M, Knuehl, C, Fittschen, C, Graedler, U, Meyring, M, Dorsch, D, Stieber, F, Schadt, O. | | Deposit date: | 2014-08-08 | | Release date: | 2015-03-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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4R2J
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5MSA
 | | Crystal structure of human carbonic anhydrase isozyme XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide | | Descriptor: | 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, CITRIC ACID, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2017-01-02 | | Release date: | 2018-01-17 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structure of human carbonic anhydrase
isozyme XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide
To be published
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8S9D
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8S97
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8WRW
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7NL2
 | | Structure of Xyn11 from Pseudothermotoga thermarum | | Descriptor: | 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-xylanase, GLYCEROL | | Authors: | Jimenez-Ortega, E, Sanz-Aparicio, J. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Phylogenetic, functional and structural characterization of a GH10 xylanase active at extreme conditions of temperature and alkalinity
Comput Struct Biotechnol J, 19, 2021
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8AV1
 | | Crystal structure of GSK3 beta (GSK3b) in complex with CD7. | | Descriptor: | 1,2-ETHANEDIOL, 2-pyridin-3-yl-8-thiomorpholin-4-yl-[1,3]oxazolo[5,4-f]quinoxaline, Glycogen synthase kinase-3 beta, ... | | Authors: | Chaikuad, A, Mongin, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-08-26 | | Release date: | 2023-04-19 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Oxazolo[5,4-f]quinoxaline-type selective inhibitors of glycogen synthase kinase-3 alpha (GSK-3 alpha ): Development and impact on temozolomide treatment of glioblastoma cells.
Bioorg.Chem., 134, 2023
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8WS6
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8WS8
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8PEH
 | | Crystal structure of Lotus japonicus SYMRK kinase domain D738N | | Descriptor: | 1,2-ETHANEDIOL, Receptor-like kinase SYMRK, SULFATE ION | | Authors: | Noergaard, M.M.M, Gysel, K, Hansen, S.B, Andersen, K.R. | | Deposit date: | 2023-06-14 | | Release date: | 2024-02-28 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Phosphorylation of the alpha-I motif in SYMRK drives root nodule organogenesis.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8B8E
 | | Wild-type GH11 from Blastobotrys mokoenaii | | Descriptor: | 1,2-ETHANEDIOL, BmGH11, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Coleman, T, Ravn, J.L, Larsbrink, J. | | Deposit date: | 2022-10-04 | | Release date: | 2023-05-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Yeasts Have Evolved Divergent Enzyme Strategies To Deconstruct and Metabolize Xylan.
Microbiol Spectr, 11, 2023
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8B43
 | | Crystal structure of ferrioxamine transporter | | Descriptor: | 1,12-bis(oxidanyl)-1,6,12,17-tetrazacyclodocosane-2,5,13,16-tetrone, FE (III) ION, Ferrichrome-iron receptor, ... | | Authors: | Josts, I, Tidow, H. | | Deposit date: | 2022-09-19 | | Release date: | 2023-04-26 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Interactions of TonB-dependent transporter FoxA with siderophores and antibiotics that affect binding, uptake, and signal transduction.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6Z53
 | | Crystal structure of CLK3 in complex with macrocycle ODS2003128 | | Descriptor: | 1,2-ETHANEDIOL, 6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Dual specificity protein kinase CLK3, ... | | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-05-26 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of CLK3 in complex with macrocycle ODS2003128
To Be Published
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