Database of articles cited by EMDB/PDB/SASBDB data

Keywords
Structure methods	All X-ray diffraction NMR electron microscopy small angle scattering neutron diffraction fiber diffraction powder diffraction infrared spectroscopy EPR fluorescence transfer theoretical model Hybrid
Author
Journal
IF	>30 >20 >10 >5 all

Title	Natural Product-like Fragments Unlock Novel Chemotypes for a Kinase Target Exploring Options beyond the Flatland
Journal, issue, pages	J. Chem. Inf. Model., Year 2025
Publish date	Jun 3, 2025 (structure data deposition date)
Authors	Santura, A. / Muller, J. / Wolter, M. / Tutzschky, I.C. / Ruf, M. / Metz, A. / Sandner, A. / Merkl, S. / Klebe, G. / Glinca, S. / Czodrowski, P.
External links	J. Chem. Inf. Model. / Search PubMed
Methods	X-ray diffraction
Resolution	1.2 - 1.75 Å
Structure data	PDB-9rdu: Crystal structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F001 Method: X-RAY DIFFRACTION / Resolution: 1.42 Å PDB-9rdv: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F005 Method: X-RAY DIFFRACTION / Resolution: 1.32 Å PDB-9rdw: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F009 Method: X-RAY DIFFRACTION / Resolution: 1.44 Å PDB-9rdx: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F012 Method: X-RAY DIFFRACTION / Resolution: 1.5 Å PDB-9rdy: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F024 Method: X-RAY DIFFRACTION / Resolution: 1.5 Å PDB-9rdz: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F030 Method: X-RAY DIFFRACTION / Resolution: 1.64 Å PDB-9re0: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F032 Method: X-RAY DIFFRACTION / Resolution: 1.58 Å PDB-9re1: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F055 Method: X-RAY DIFFRACTION / Resolution: 1.41 Å PDB-9re2: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F058 Method: X-RAY DIFFRACTION / Resolution: 1.68 Å PDB-9re3: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F070 Method: X-RAY DIFFRACTION / Resolution: 1.57 Å PDB-9re4: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F073 Method: X-RAY DIFFRACTION / Resolution: 1.47 Å PDB-9re5: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F074 Method: X-RAY DIFFRACTION / Resolution: 1.7 Å PDB-9re6: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F102 Method: X-RAY DIFFRACTION / Resolution: 1.45 Å PDB-9re7: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F134 Method: X-RAY DIFFRACTION / Resolution: 1.46 Å PDB-9re8: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F138 Method: X-RAY DIFFRACTION / Resolution: 1.5 Å PDB-9re9: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F145 Method: X-RAY DIFFRACTION / Resolution: 1.41 Å PDB-9rea: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F168 Method: X-RAY DIFFRACTION / Resolution: 1.52 Å PDB-9reb: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F184 Method: X-RAY DIFFRACTION / Resolution: 1.39 Å PDB-9rec: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F186 Method: X-RAY DIFFRACTION / Resolution: 1.2 Å PDB-9red: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F188 Method: X-RAY DIFFRACTION / Resolution: 1.31 Å PDB-9ree: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F189 Method: X-RAY DIFFRACTION / Resolution: 1.34 Å PDB-9ref: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F203 Method: X-RAY DIFFRACTION / Resolution: 1.42 Å PDB-9reg: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F225 Method: X-RAY DIFFRACTION / Resolution: 1.35 Å PDB-9reh: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F236 Method: X-RAY DIFFRACTION / Resolution: 1.33 Å PDB-9rei: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F248 Method: X-RAY DIFFRACTION / Resolution: 1.42 Å PDB-9rej: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F264 Method: X-RAY DIFFRACTION / Resolution: 1.4 Å PDB-9rek: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F274 Method: X-RAY DIFFRACTION / Resolution: 1.38 Å PDB-9rel: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F283 Method: X-RAY DIFFRACTION / Resolution: 1.42 Å PDB-9rem: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F294 Method: X-RAY DIFFRACTION / Resolution: 1.43 Å PDB-9ren: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F296 Method: X-RAY DIFFRACTION / Resolution: 1.38 Å PDB-9reo: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F299 Method: X-RAY DIFFRACTION / Resolution: 1.45 Å PDB-9rep: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F304 Method: X-RAY DIFFRACTION / Resolution: 1.44 Å PDB-9req: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F310 Method: X-RAY DIFFRACTION / Resolution: 1.5 Å PDB-9rer: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F312 Method: X-RAY DIFFRACTION / Resolution: 1.45 Å PDB-9res: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F313 Method: X-RAY DIFFRACTION / Resolution: 1.5 Å PDB-9ret: Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F322 Method: X-RAY DIFFRACTION / Resolution: 1.75 Å
Chemicals	PDB-1je8: Two-Component response regulator NarL/DNA Complex: DNA Bending Found in a High Affinity Site ChemComp-DMS: DIMETHYL SULFOXIDE / DMSO, precipitantYM ChemComp-HOH: WATER ChemComp-PG4: TETRAETHYLENE GLYCOL / precipitantYM PDB-1je7: Unknown entry PDB-1je6: Structure of the MHC Class I Homolog MICB ChemComp-PEG: DI(HYDROXYETHYL)ETHER PDB-1je5: Crystal Structure of gp2.5, a Single-Stranded DNA Binding Protein Encoded by Bacteriophage T7 PDB-1je4: Solution structure of the monomeric variant of the chemokine MIP-1beta PDB-1je9: NMR SOLUTION STRUCTURE OF NT2 PDB-1je3: Solution Structure of EC005 from Escherichia coli PDB-1je2: Unknown entry PDB-1je1: 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEX WITH GUANOSINE AND SULFATE PDB-1je0: CRYSTAL STRUCTURE OF 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEXED WITH PHOSPHATE AND TRIS MOLECULE PDB-1jez: THE STRUCTURE OF XYLOSE REDUCTASE, A DIMERIC ALDO-KETO REDUCTASE FROM CANDIDA TENUIS PDB-1jey: Crystal Structure of the Ku heterodimer bound to DNA PDB-1jex: SOLUTION STRUCTURE OF A67V MUTANT OF RAT FERRO CYTOCHROME B5 ChemComp-D6V: 2-[(3S)-pyrrolidin-3-yl]-1H-benzimidazole PDB-1jeq: Crystal Structure of the Ku Heterodimer PDB-1jer: CUCUMBER STELLACYANIN, CU2+, PH 7.0 PDB-1jes: Crystal Structure of a Copper-Mediated Base Pair in DNA PDB-1jet: OLIGO-PEPTIDE BINDING PROTEIN (OPPA) COMPLEXED WITH KAK ChemComp-PGF: 2,5,8,11-TETRAOXATRIDECANE PDB-1jeu: OLIGO-PEPTIDE BINDING PROTEIN (OPPA) COMPLEXED WITH KEK PDB-1jev: OLIGO-PEPTIDE BINDING PROTEIN (OPPA) COMPLEXED WITH KWK PDB-1jew: CRYO-EM STRUCTURE OF COXSACKIEVIRUS B3(M STRAIN) WITH ITS CELLULAR RECEPTOR, COXSACKIEVIRUS AND ADENOVIRUS RECEPTOR (CAR). ChemComp-D8J: 2-amino-1,4-anhydro-2,5-dideoxy-5-[(4-fluorobenzene-1-carbonyl)amino]-D-arabinitol PDB-1jep: Chalcone Isomerase Complexed with 4'-hydroxyflavanone PDB-1jeo: Crystal Structure of the Hypothetical Protein MJ1247 from Methanococcus jannaschii at 2.0 A Resolution Infers a Molecular Function of 3-Hexulose-6-Phosphate isomerase. PDB-1jen: HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE PDB-1jem: NMR STRUCTURE OF HISTIDINE PHOSPHORYLATED FORM OF THE PHOSPHOCARRIER HISTIDINE CONTAINING PROTEIN FROM BACILLUS SUBTILIS, NMR, 25 STRUCTURES ChemComp-D8P: [(2S)-1,9-dimethyl-1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol ChemComp-1PE: PENTAETHYLENE GLYCOL / precipitantYM ChemComp-D8V: 4-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)piperidin-4-ol PDB Unreleased entry PDB-1jel: Unknown entry PDB-1jek: Visna TM CORE STRUCTURE PDB-1jej: T4 phage apo BGT PDB-1jfa: Trichodiene Synthase from Fusarium Sporotrichioides PDB-1jei: LEM DOMAIN OF HUMAN INNER NUCLEAR MEMBRANE PROTEIN EMERIN PDB-1jeh: CRYSTAL STRUCTURE OF YEAST E3, LIPOAMIDE DEHYDROGENASE PDB-1jeg: Solution structure of the SH3 domain from C-terminal Src Kinase complexed with a peptide from the tyrosine phosphatase PEP PDB-1jef*: TURKEY LYSOZYME COMPLEX WITH (GLCNAC)3
Source	cricetulus griseus (Chinese hamster)
Keywords	TRANSFERASE / serine-threonine kinase / small molecules / ligand binding / fragment-based drug discovery / serine kinase / threonine kinase