2BQX
 
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2BQY
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6AEJ
 | | Crystal structure of human FTO in complex with small-molecule inhibitors | | Descriptor: | (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | | Deposit date: | 2018-08-05 | | Release date: | 2019-06-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
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6AK4
 | | Crystal structure of human FTO in complex with small-molecule inhibitors | | Descriptor: | (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | | Deposit date: | 2018-08-30 | | Release date: | 2019-07-10 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
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9IY1
 | | P450 BS beta mutant F46A | | Descriptor: | DI(HYDROXYETHYL)ETHER, Fatty-acid peroxygenase, GLYCEROL, ... | | Authors: | Gong, P.Q, Gao, X. | | Deposit date: | 2024-07-29 | | Release date: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Unexpected Activities of CYP152 Peroxygenases towards Non-carboxylic Substrates Reveal Novel Substrate Recognition Mechanism and Catalytic Versatility.
Angew.Chem.Int.Ed.Engl., 2025
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2PPH
 | | solution structure of human MEKK3 PB1 domain | | Descriptor: | Mitogen-activated protein kinase kinase kinase 3 | | Authors: | Hu, Q, Zhang, J, Wu, J, Shi, Y. | | Deposit date: | 2007-04-30 | | Release date: | 2007-05-22 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Insight into the Binding Properties of MEKK3 PB1 to MEK5 PB1 from Its Solution Structure.
Biochemistry, 46, 2007
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6O5I
 | | Menin in complex with MI-3454 | | Descriptor: | DIMETHYL SULFOXIDE, Menin, SULFATE ION, ... | | Authors: | Linhares, B.M, Klossowski, S, Cierpicki, T, Grembecka, J. | | Deposit date: | 2019-03-03 | | Release date: | 2020-01-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.24025619 Å) | | Cite: | Menin inhibitor MI-3454 induces remission in MLL1-rearranged and NPM1-mutated models of leukemia.
J.Clin.Invest., 130, 2020
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5LKT
 | | Crystal structure of the p300 acetyltransferase catalytic core with butyryl-coenzyme A. | | Descriptor: | Butyryl Coenzyme A, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D. | | Deposit date: | 2016-07-24 | | Release date: | 2016-11-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structure of p300 in complex with acyl-CoA variants.
Nat. Chem. Biol., 13, 2017
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5LKZ
 | | Crystal structure of the p300 acetyltransferase catalytic core with crotonyl-coenzyme A. | | Descriptor: | CROTONYL COENZYME A, GLYCEROL, Histone acetyltransferase p300,Histone acetyltransferase p300, ... | | Authors: | Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D. | | Deposit date: | 2016-07-25 | | Release date: | 2016-11-02 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of p300 in complex with acyl-CoA variants.
Nat. Chem. Biol., 13, 2017
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5LKU
 | | Crystal structure of the p300 acetyltransferase catalytic core with coenzyme A. | | Descriptor: | COENZYME A, Histone acetyltransferase p300,Histone acetyltransferase p300, ZINC ION | | Authors: | Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D. | | Deposit date: | 2016-07-25 | | Release date: | 2016-11-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of p300 in complex with acyl-CoA variants.
Nat. Chem. Biol., 13, 2017
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8W5C
 | | Crystal structure of FGFR4 kinase domain in complex with 8K | | Descriptor: | Fibroblast growth factor receptor 4, N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-6-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-yl-pyrrolo[3,2-b]pyridine-3-carboxamide | | Authors: | Zhang, Z.M, Huang, H.S. | | Deposit date: | 2023-08-26 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
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5LKX
 | | Crystal structure of the p300 acetyltransferase catalytic core with propionyl-coenzyme A. | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Histone acetyltransferase p300,Histone acetyltransferase p300, ... | | Authors: | Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D. | | Deposit date: | 2016-07-25 | | Release date: | 2016-11-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Structure of p300 in complex with acyl-CoA variants.
Nat. Chem. Biol., 13, 2017
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6OIG
 | | Subunit joining exposes nascent pre-40S rRNA for processing and quality control | | Descriptor: | 25S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | | Authors: | Rai, J, Parker, M.D, Ghalei, H, Johnson, M.C, Karbstein, K, Stroupe, M.E. | | Deposit date: | 2019-04-09 | | Release date: | 2020-09-30 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | An open interface in the pre-80S ribosome coordinated by ribosome assembly factors Tsr1 and Dim1 enables temporal regulation of Fap7.
Rna, 27, 2021
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8GUN
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8GUP
 | | Crystal structure of EsaG from Staphylococcus aureus | | Descriptor: | CITRIC ACID, Type VII secretion system protein EsaG | | Authors: | Zhang, Z.M, Wang, Y.J. | | Deposit date: | 2022-09-13 | | Release date: | 2022-11-09 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.298725 Å) | | Cite: | A toxin-deformation dependent inhibition mechanism in the T7SS toxin-antitoxin system of Gram-positive bacteria.
Nat Commun, 13, 2022
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8GUO
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8H3S
 | | Substrate-bound EP, polyA model | | Descriptor: | Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain, Serine protease 1 | | Authors: | Ding, Z.Y, Huang, H.J. | | Deposit date: | 2022-10-09 | | Release date: | 2022-11-23 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
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8H3U
 | | Inhibitor-bound EP, polyA model | | Descriptor: | Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain | | Authors: | Ding, Z.Y, Huang, H.J. | | Deposit date: | 2022-10-09 | | Release date: | 2022-11-23 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
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8GXN
 | | The crystal structure of CsFAOMT2 in complex with SAH | | Descriptor: | MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, caffeyl-CoA-O-methyltransferase | | Authors: | Zhang, Z.M, Zhou, Y.E, Huang, H.S. | | Deposit date: | 2022-09-20 | | Release date: | 2023-09-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Characterization of two O-methyltransferases involved in the biosynthesis of O-methylated catechins in tea plant.
Nat Commun, 14, 2023
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6QBY
 | | Crystal structure of VASH 2 in complex with SVBP | | Descriptor: | Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 2 | | Authors: | Choi, S.R, Olieric, V, Steinmetz, M.O, Olieric, N. | | Deposit date: | 2018-12-24 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural basis of tubulin detyrosination by the vasohibin-SVBP enzyme complex.
Nat.Struct.Mol.Biol., 26, 2019
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8GXO
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8GZ4
 | | Crystal structure of MPXV phosphatase | | Descriptor: | Dual specificity protein phosphatase H1, PHOSPHATE ION | | Authors: | Yang, H.T, Wang, W, Huang, H.J, Ji, X.Y. | | Deposit date: | 2022-09-25 | | Release date: | 2023-05-17 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Crystal structure of monkeypox H1 phosphatase, an antiviral drug target.
Protein Cell, 14, 2023
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8JT6
 | | 5-HT1A-Gi in complex with compound (R)-IHCH-7179 | | Descriptor: | 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Chen, Z, Xu, P, Huang, S, Xu, H.E, Wang, S. | | Deposit date: | 2023-06-21 | | Release date: | 2024-02-28 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Flexible scaffold-based cheminformatics approach for polypharmacological drug design.
Cell, 187, 2024
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6LE0
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6LOX
 | | Crystal Structure of human glutaminase with macrocyclic inhibitor | | Descriptor: | (E)-15,22-Dioxa-4,11-diaza-5(2,5)-thiadiazola-10(3,6)-pyridazina-1,14(1,3)-dibenzenacyclodocosaphan-18-ene-3,12-dione, Glutaminase kidney isoform, mitochondrial | | Authors: | Bian, J, Li, Z, Xu, X, Wang, J, Li, L. | | Deposit date: | 2020-01-07 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure-Enabled Discovery of Novel Macrocyclic Inhibitors Targeting Glutaminase 1 Allosteric Binding Site.
J.Med.Chem., 64, 2021
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