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	Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Journal, issue, pages	Eur. J. Med. Chem., Vol. 299, Page 118048-118048, Year 2025
Publish date	Oct 12, 2024 (structure data deposition date)
Authors	Xiao, Q. / Tang, J. / Shu, H. / Wu, T. / Zhang, H. / Wang, W. / Wang, L. / Qin, W.
External links	Eur. J. Med. Chem. / PubMed:40803165
Methods	X-ray diffraction
Resolution	1.53 - 2.49 Å
Structure data	PDB-9jyo: Crystal structure of the Pin1 and fragment 2 complex. Method: X-RAY DIFFRACTION / Resolution: 1.6 Å PDB-9jyp: Crystal structure of the PIN1 and fragment 3 complex Method: X-RAY DIFFRACTION / Resolution: 1.6 Å PDB-9jyr: Crystal structure of the PIN1 and fragment 4 complex Method: X-RAY DIFFRACTION / Resolution: 1.65 Å PDB-9jyt: Crystal structure of the PIN1 and fragment 1 complex. Method: X-RAY DIFFRACTION / Resolution: 1.85 Å PDB-9jyv: Crystal structure of the PIN1 and fragment 6 complex. Method: X-RAY DIFFRACTION / Resolution: 1.8 Å PDB-9jz2: Crystal structure of the PIN1 and fragment 7 complex. Method: X-RAY DIFFRACTION / Resolution: 1.55 Å PDB-9jz3: Crystal structure of the PIN1 and fragment 8 complex. Method: X-RAY DIFFRACTION / Resolution: 1.98 Å PDB-9jz4: Crystal structure of the PIN1 and fragment 9 complex. Method: X-RAY DIFFRACTION / Resolution: 1.82 Å PDB-9jz6: Crystal structure of the PIN1 and fragment 11 complex. Method: X-RAY DIFFRACTION / Resolution: 1.65 Å PDB-9jzg: Crystal structure of the PIN1 and fragment 12 complex. Method: X-RAY DIFFRACTION / Resolution: 1.76 Å PDB-9jzs: Crystal structure of the PIN1 and fragment 13 complex. Method: X-RAY DIFFRACTION / Resolution: 1.91 Å PDB-9jzu: Crystal structure of the PIN1 and fragment 14 complex. Method: X-RAY DIFFRACTION / Resolution: 1.68 Å PDB-9jzv: Crystal structure of the PIN1 and fragment 15 complex. Method: X-RAY DIFFRACTION / Resolution: 1.9 Å PDB-9ke7: Crystal structure of the PIN1 and fragment 23 complex. Method: X-RAY DIFFRACTION / Resolution: 1.68 Å PDB-9ke9: Crystal structure of the PIN1 and fragment 22 complex. Method: X-RAY DIFFRACTION / Resolution: 2.25 Å PDB-9keb: Crystal structure of the PIN1 and fragment 24 complex. Method: X-RAY DIFFRACTION / Resolution: 1.65 Å PDB-9kec: Crystal structure of the PIN1 and fragment 25 complex. Method: X-RAY DIFFRACTION / Resolution: 1.68 Å PDB-9kel: Crystal structure of the PIN1 and fragment 26 complex. Method: X-RAY DIFFRACTION / Resolution: 1.96 Å PDB-9keq: Crystal structure of the PIN1 and fragment 27 complex. Method: X-RAY DIFFRACTION / Resolution: 1.53 Å PDB-9kes: Crystal structure of the PIN1 and fragment 28 complex. Method: X-RAY DIFFRACTION / Resolution: 1.62 Å PDB-9kew: Crystal structure of the PIN1 and fragment 29 complex. Method: X-RAY DIFFRACTION / Resolution: 1.6 Å PDB-9key: Crystal structure of the PIN1 and fragment 30 complex. Method: X-RAY DIFFRACTION / Resolution: 2.49 Å PDB-9kez: Crystal structure of the PIN1 and fragment 31 complex. Method: X-RAY DIFFRACTION / Resolution: 1.95 Å PDB-9kf0: Crystal structure of the PIN1 and fragment 32 complex. Method: X-RAY DIFFRACTION / Resolution: 1.82 Å PDB-9kfc: Crystal structure of the PIN1 and fragment 40 complex. Method: X-RAY DIFFRACTION / Resolution: 1.56 Å PDB-9kfh: Crystal structure of the PIN1 and fragment 52 complex Method: X-RAY DIFFRACTION / Resolution: 1.59 Å PDB-9kg9: Crystal structure of the PIN1 and fragment 18 complex. Method: X-RAY DIFFRACTION / Resolution: 1.55 Å PDB-9kx7: Crystal structure of the PIN1 and fragment 34 complex. Method: X-RAY DIFFRACTION / Resolution: 1.53 Å PDB-9kx9: Crystal structure of the PIN1 and fragment 35 complex. Method: X-RAY DIFFRACTION / Resolution: 1.62 Å PDB-9kxc: Crystal structure of the PIN1 and fragment 36 complex. Method: X-RAY DIFFRACTION / Resolution: 1.53 Å PDB-9kxd: Crystal structure of the PIN1 and fragment 37 complex. Method: X-RAY DIFFRACTION / Resolution: 1.6 Å PDB-9kxe: Crystal structure of the PIN1 and fragment 38 complex. Method: X-RAY DIFFRACTION / Resolution: 1.61 Å PDB-9kxf: Crystal structure of the PIN1 and fragment 39 complex. Method: X-RAY DIFFRACTION / Resolution: 1.71 Å PDB-9kxg: Crystal structure of the PIN1 and fragment 41 complex. Method: X-RAY DIFFRACTION / Resolution: 1.58 Å PDB-9kxh: Crystal structure of the PIN1 and fragment 42 complex Method: X-RAY DIFFRACTION / Resolution: 1.68 Å PDB-9kxi: Crystal structure of the PIN1 and fragment 31 complex. Method: X-RAY DIFFRACTION / Resolution: 1.77 Å PDB-9kxj: Crystal structure of the PIN1 and fragment 53 complex Method: X-RAY DIFFRACTION / Resolution: 1.57 Å PDB-9kxl: Crystal structure of the PIN1 and fragment 56 complex. Method: X-RAY DIFFRACTION / Resolution: 1.7 Å PDB-9kxm: Crystal structure of the PIN1 and fragment 57 complex. Method: X-RAY DIFFRACTION / Resolution: 1.64 Å PDB-9kxn: Crystal structure of the PIN1 and fragment 58 complex. Method: X-RAY DIFFRACTION / Resolution: 1.67 Å PDB-9kxo: Crystal structure of the PIN1 and fragment 21 complex. Method: X-RAY DIFFRACTION / Resolution: 1.75 Å PDB-9kxp: Crystal structure of the PIN1 and fragment 33 complex. Method: X-RAY DIFFRACTION / Resolution: 1.81 Å PDB-9kxq: Crystal structure of the PIN1 and fragment 55 complex. Method: X-RAY DIFFRACTION / Resolution: 1.69 Å PDB-9v92: Crystal structure of the Pin1 and Frag61 complex Method: X-RAY DIFFRACTION / Resolution: 1.97 Å
Chemicals	PDB-1edy: CRYSTAL STRUCTURE OF RAT ALPHA 1-MACROGLOBULIN RECEPTOR BINDING DOMAIN ChemComp-PE8: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL ChemComp-SO4: SULFATE ION ChemComp-CL: Unknown entry ChemComp-HOH: WATER PDB-1edz: STRUCTURE OF THE NAD-DEPENDENT 5,10-METHYLENETETRAHYDROFOLATE DEHYDROGENASE FROM SACCHAROMYCES CEREVISIAE ChemComp-P33: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL / precipitantYM PDB-1ed0: NMR structural determination of viscotoxin A3 from Viscum album L. PDB-1edx: SOLUTION STRUCTURE OF AMINO TERMINUS OF BOVINE RHODOPSIN (RESIDUES 1-40) PDB-1ed2: Unknown entry PDB-1ed3: CRYSTAL STRUCTURE OF RAT MINOR HISTOCOMPATIBILITY ANTIGEN COMPLEX RT1-AA/MTF-E. PDB-1ed4: BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH IPITU (H4B FREE) PDB-1ed5: BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH NNA(H4B FREE) ChemComp-PE4: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL / precipitantYM PDB-1ed7: SOLUTION STRUCTURE OF THE CHITIN-BINDING DOMAIN OF BACILLUS CIRCULANS WL-12 CHITINASE A1 PDB-1ed8: STRUCTURE OF E. COLI ALKALINE PHOSPHATASE INHIBITED BY THE INORGANIC PHOSPHATE AT 1.75A RESOLUTION PDB-1at6: HEN EGG WHITE LYSOZYME WITH A ISOASPARTATE RESIDUE PDB-1ed9: STRUCTURE OF E. COLI ALKALINE PHOSPHATASE WITHOUT THE INORGANIC PHOSPHATE AT 1.75A RESOLUTION PDB-1eea: Acetylcholinesterase PDB-1ee7: NMR STRUCTURE OF THE PEPTAIBOL CHRYSOSPERMIN C BOUND TO DPC MICELLES PDB-1bdv: ARC FV10 COCRYSTAL PDB-1ee8: CRYSTAL STRUCTURE OF MUTM (FPG) PROTEIN FROM THERMUS THERMOPHILUS HB8 PDB-1ee6: CRYSTAL STRUCTURE OF PECTATE LYASE FROM BACILLUS SP. STRAIN KSM-P15. PDB-1efa: CRYSTAL STRUCTURE OF THE LAC REPRESSOR DIMER BOUND TO OPERATOR AND THE ANTI-INDUCER ONPF PDB-1efb: Unknown entry PDB-1efc: INTACT ELONGATION FACTOR FROM E.COLI PDB-1efd: PERIPLASMIC FERRIC SIDEROPHORE BINDING PROTEIN FHUD COMPLEXED WITH GALLICHROME PDB-1efe: AN ACTIVE MINI-PROINSULIN, M2PI ChemComp-DBJ: 2,3-dihydro-1,4-benzodioxin-5-ylmethanol PDB-1eff: Unknown entry PDB-1aya: CRYSTAL STRUCTURES OF PEPTIDE COMPLEXES OF THE AMINO-TERMINAL SH2 DOMAIN OF THE SYP TYROSINE PHOSPHATASE PDB-1efg: THE CRYSTAL STRUCTURE OF ELONGATION FACTOR G COMPLEXED WITH GDP, AT 2.7 ANGSTROMS RESOLUTION PDB-1efp: ELECTRON TRANSFER FLAVOPROTEIN (ETF) FROM PARACOCCUS DENITRIFICANS PDB-1ehc: STRUCTURE OF SIGNAL TRANSDUCTION PROTEIN CHEY PDB-1ehd: CRYSTAL STRUCTURE OF URTICA DIOICA AGGLUTININ ISOLECTIN VI PDB-1ehe: CRYSTAL STRUCTURES OF CYTOCHROME P450NOR AND ITS MUTANTS (SER286 VAL, THR) IN THE FERRIC RESTING STATE AT CRYOGENIC TEMPERATURE: A COMPARATIVE ANALYSIS WITH MONOOXYGENASE CYTOCHROME P450S ChemComp-53E: 2,3-dihydro-1,4-benzodioxine-5-carboxylic acid PDB-1ehf: CRYSTAL STRUCTURES OF CYTOCHROME P450NOR AND ITS MUTANTS (SER286 VAL, THR) IN THE FERRIC RESTING STATE AT CRYOGENIC TEMPERATURE: A COMPARATIVE ANALYSIS WITH MONOOXYGENASE CYTOCHROME P450S PDB-1ehg: CRYSTAL STRUCTURES OF CYTOCHROME P450NOR AND ITS MUTANTS (SER286 VAL, THR) IN THE FERRIC RESTING STATE AT CRYOGENIC TEMPERATURE: A COMPARATIVE ANALYSIS WITH MONOOXYGENASE CYTOCHROME P450S ChemComp-M4T: ~{N}-pyridin-3-ylethanamide PDB-1eho: Unknown entry PDB-1ehy: X-ray structure of the epoxide hydrolase from agrobacterium radiobacter ad1 PDB-1evl: CRYSTAL STRUCTURE OF A TRUNCATED FORM OF THREONYL-TRNA SYNTHETASE WITH A THREONYL ADENYLATE ANALOG PDB-1ehq: Unknown entry PDB-1erz: CRYSTAL STRUCTURE OF N-CARBAMYL-D-AMINO ACID AMIDOHYDROLASE WITH A NOVEL CATALYTIC FRAMEWORK COMMON TO AMIDOHYDROLASES PDB-1ehr: Unknown entry ChemComp-UUY: 2-[methyl(pyridin-2-yl)amino]ethan-1-ol PDB-1ehb: CRYSTAL STRUCTURE OF RECOMBINANT TRYPSIN-SOLUBILIZED FRAGMENT OF CYTOCHROME B5 PDB Unreleased entry PDB-1ehp: CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF CAP, DNA AND C-TERMINAL DOMAIN OF ALPHA SUBUNIT OF RNA POLYMERASE FRO E. COLI. ChemComp, No image ChemComp-QCF: Unknown entry
Source	homo sapiens (human) escherichia coli bl21(de3) (bacteria)
Keywords	ISOMERASE / cis-trans isomerase / Inhibitor