7MIG
 
 | | Human CTPS1 bound to inhibitor T35 | | Descriptor: | 2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide, CTP synthase 1, GLUTAMINE, ... | | Authors: | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | | Deposit date: | 2021-04-16 | | Release date: | 2021-10-13 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis for isoform-specific inhibition of human CTPS1.
Proc.Natl.Acad.Sci.USA, 118, 2021
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8EIO
 | | The complex of phosphorylated human delta F508 cystic fibrosis transmembrane conductance regulator (CFTR) with elexacaftor (VX-445), lumacaftor (VX-809) and ATP/Mg | | Descriptor: | (6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ... | | Authors: | Fiedorczuk, K, Chen, J. | | Deposit date: | 2022-09-15 | | Release date: | 2022-10-19 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Molecular structures reveal synergistic rescue of Delta 508 CFTR by Trikafta modulators.
Science, 378, 2022
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9EX2
 | | X-ray structure of a polyoxidovanadate/lysozyme adduct obtained when the protein is treated with [VIVO(acac)2] in 1.1 M NaCl, 0.1 M sodium acetate at pH 4.0 (Structure C) | | Descriptor: | CHLORIDE ION, Lysozyme C, Polyoxidovanadate complex, ... | | Authors: | Tito, G, Merlino, A, Ferraro, G. | | Deposit date: | 2024-04-05 | | Release date: | 2024-06-26 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.172 Å) | | Cite: | Non-Covalent and Covalent Binding of New Mixed-Valence Cage-like Polyoxidovanadate Clusters to Lysozyme.
Angew.Chem.Int.Ed.Engl., 63, 2024
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1KTA
 | | HUMAN BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE : THREE DIMENSIONAL STRUCTURE OF THE ENZYME IN ITS PYRIDOXAMINE PHOSPHATE FORM. | | Descriptor: | 3-METHYL-2-OXOBUTANOIC ACID, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ACETIC ACID, ... | | Authors: | Yennawar, N.H, Conway, M.E, Yennawar, H.P, Farber, G.K, Hutson, S.M. | | Deposit date: | 2002-01-15 | | Release date: | 2002-11-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of human mitochondrial branched chain aminotransferase reaction intermediates: ketimine and pyridoxamine phosphate forms
Biochemistry, 41, 2002
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9IMO
 | | Crystal structure of Tubulin-RB3-TTL-Y12 | | Descriptor: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Yan, W, Yang, J.H. | | Deposit date: | 2024-07-04 | | Release date: | 2025-02-26 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Identification of a ligand-binding site on tubulin mediating the tubulin-RB3 interaction.
Proc.Natl.Acad.Sci.USA, 122, 2025
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5BY5
 | | High resolution structure of the ectoine synthase from the cold-adapted marine bacterium Sphingopyxis alaskensis | | Descriptor: | L-ectoine synthase, S-1,2-PROPANEDIOL | | Authors: | Widderich, N, Kobus, S, Hoeppner, A, Bremer, E, Smits, S.H.J. | | Deposit date: | 2015-06-10 | | Release date: | 2016-04-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Biochemistry and Crystal Structure of Ectoine Synthase: A Metal-Containing Member of the Cupin Superfamily.
Plos One, 11, 2016
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6UFD
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5HTI
 | | Crystal structure of c-Met kinase domain in complex with LXM108 | | Descriptor: | Hepatocyte growth factor receptor, N-[3-fluoro-4-({7-[2-(morpholin-4-yl)ethoxy]-1,6-naphthyridin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | | Authors: | Liu, Q.F, Xu, Y.C. | | Deposit date: | 2016-01-26 | | Release date: | 2017-02-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Crystal structure of c-Met kinase domain in complex with LXM108
to be published
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6ZSE
 | | Human mitochondrial ribosome in complex with mRNA, A/P-tRNA and P/E-tRNA | | Descriptor: | 12S mitochondrial rRNA, 16S mitochondrial rRNA, 28S ribosomal protein S10, ... | | Authors: | Aibara, S, Singh, V, Modelska, A, Amunts, A. | | Deposit date: | 2020-07-15 | | Release date: | 2020-09-16 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (5 Å) | | Cite: | Structural basis of mitochondrial translation.
Elife, 9, 2020
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7TJJ
 | | S. cerevisiae ORC bound to 84 bp ARS1 DNA and Cdc6 (state 1) with docked Orc6 N-terminal domain | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 6, DNA, ... | | Authors: | Schmidt, J.M, Yang, R, Kumar, A, Hunker, O, Bleichert, F. | | Deposit date: | 2022-01-16 | | Release date: | 2022-10-05 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | A mechanism of origin licensing control through autoinhibition of S. cerevisiae ORC·DNA·Cdc6.
Nat Commun, 13, 2022
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3O7J
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6R26
 | | The photosensory core module (PAS-GAF-PHY) of the bacterial phytochrome Agp1 (AtBphP1) locked in a Pr-like state | | Descriptor: | 3-[2-[(~{Z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Bacteriophytochrome protein, CALCIUM ION | | Authors: | Scheerer, P, Michael, N, Lamparter, T, Krauss, N. | | Deposit date: | 2019-03-15 | | Release date: | 2020-04-01 | | Last modified: | 2025-10-01 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Crystal structures of the photosensory core module of bacteriophytochrome Agp1 reveal pronounced structural flexibility of this protein in the red-absorbing Pr state
To Be Published
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7MON
 | | Structure of human RIPK3-MLKL complex | | Descriptor: | Mixed lineage kinase domain-like protein, N-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 3 | | Authors: | Meng, Y, Davies, K.A, Czabotar, P.E, Murphy, J.M. | | Deposit date: | 2021-05-03 | | Release date: | 2021-11-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Human RIPK3 maintains MLKL in an inactive conformation prior to cell death by necroptosis.
Nat Commun, 12, 2021
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8AYE
 | | E. coli 70S ribosome bound to thermorubin and fMet-tRNA | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Sanyal, S, Parajuli, N.P, Emmerich, A.G. | | Deposit date: | 2022-09-02 | | Release date: | 2023-03-01 | | Last modified: | 2025-03-12 | | Method: | ELECTRON MICROSCOPY (1.96 Å) | | Cite: | Antibiotic thermorubin tethers ribosomal subunits and impedes A-site interactions to perturb protein synthesis in bacteria.
Nat Commun, 14, 2023
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9IIT
 | | Full length structure of FKP in complex with GTP and GDP | | Descriptor: | ACETATE ION, FORMIC ACID, GLYCEROL, ... | | Authors: | Ko, T.P, Lin, S.W, Hsu, M.F, Lin, C.H. | | Deposit date: | 2024-06-21 | | Release date: | 2025-03-05 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insight into the catalytic mechanism of the bifunctional enzyme l-fucokinase/GDP-fucose pyrophosphorylase.
J.Biol.Chem., 301, 2025
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9MDK
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8AQV
 | | BA.2.12.1 SARS-CoV-2 Spike bound to mouse ACE2 (local) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ... | | Authors: | Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E. | | Deposit date: | 2022-08-13 | | Release date: | 2023-03-01 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range.
Plos Pathog., 19, 2023
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5C7Q
 | | Crystal Structure of the Bdellovibrio bacteriovorus Nucleoside Diphosphate Sugar Hydrolase | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Gabelli, S.B, de la Pena, A.H, Suarez, A, Amzel, L.M. | | Deposit date: | 2015-06-24 | | Release date: | 2016-01-20 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structural and Enzymatic Characterization of a Nucleoside Diphosphate Sugar Hydrolase from Bdellovibrio bacteriovorus.
Plos One, 10, 2015
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8YGY
 | | Structure of the KLK1 from Biortus. | | Descriptor: | 1,2-ETHANEDIOL, Kallikrein-1, SULFATE ION, ... | | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Xu, Y. | | Deposit date: | 2024-02-27 | | Release date: | 2024-03-13 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Structure of the KLK1 from Biortus.
To Be Published
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1KT8
 | | HUMAN BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE (MITOCHONDRIAL): THREE DIMENSIONAL STRUCTURE OF ENZYME IN ITS KETIMINE FORM WITH THE SUBSTRATE L-ISOLEUCINE | | Descriptor: | ACETIC ACID, BRANCHED-CHAIN AMINO ACID AMINOTRANSFERASE, MITOCHONDRIAL, ... | | Authors: | Yennawar, N.H, Conway, M.E, Yennawar, H.P, Farber, G.K, Hutson, S.M. | | Deposit date: | 2002-01-15 | | Release date: | 2002-11-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of human mitochondrial branched chain aminotransferase reaction intermediates: ketimine and pyridoxamine phosphate forms
Biochemistry, 41, 2002
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5LYF
 | | Crystal structure of 1 in complex with tafCPB | | Descriptor: | (2~{S})-6-azanyl-2-[[(2~{R})-1-[[(1~{R},2~{S},4~{S})-2-bicyclo[2.2.1]heptanyl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid, Carboxypeptidase B, ZINC ION | | Authors: | Schreuder, H, Liesum, A, Loenze, P. | | Deposit date: | 2016-09-28 | | Release date: | 2016-10-26 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Sulfamide as Zinc Binding Motif in Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).
J. Med. Chem., 59, 2016
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5CAO
 | | EGFR kinase domain mutant "TMLR" with compound 29 | | Descriptor: | Epidermal growth factor receptor, N~2~-[2-methyl-2-(methylsulfonyl)propyl]-N~4~-[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]pyrimidine-2,4-diamine | | Authors: | Eigenbrot, C, Yu, C. | | Deposit date: | 2015-06-29 | | Release date: | 2015-10-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
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7BEK
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-158 Fab (crystal form 2) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2020-12-23 | | Release date: | 2021-03-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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7BEO
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-253H55L and COVOX-75 Fabs | | 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, ACETATE ION, ... | | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2020-12-24 | | Release date: | 2021-03-03 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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6HTY
 | | PXR in complex with P2X4 inhibitor compound 25 | | Descriptor: | (2~{R})-~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Hillig, R.C, Puetter, V, Werner, S, Mesch, S, Laux-Biehlmann, A, Braeuer, N, Dahloef, H, Klint, J, ter Laak, A, Pook, E, Neagoe, I, Nubbemeyer, R, Schulz, S. | | Deposit date: | 2018-10-05 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Discovery and Characterization of the Potent and Selective P2X4 InhibitorN-[4-(3-Chlorophenoxy)-3-sulfamoylphenyl]-2-phenylacetamide (BAY-1797) and Structure-Guided Amelioration of Its CYP3A4 Induction Profile.
J.Med.Chem., 62, 2019
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