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Related Concept Videos

Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
Predicting Molecular Geometry02:27

Predicting Molecular Geometry

VSEPR Theory for Determination of Electron Pair Geometries

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Related Experiment Video

Updated: May 21, 2026

In Vitro Chemical Mapping of G-Quadruplex DNA Structures by Bis-3-Chloropiperidines
05:32

In Vitro Chemical Mapping of G-Quadruplex DNA Structures by Bis-3-Chloropiperidines

Published on: May 12, 2023

Crystal Structure of Trabectedin-DNA Complex.

Caixia Hou1, Nishad Thamban Chandrika1, Markos Leggas2

  • 1Department of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky, 789 S. Limestone St., Lexington, KY 40536, USA.

Journal of Molecular Biology
|May 19, 2026
PubMed
Summary
This summary is machine-generated.

A new crystal structure reveals how trabectedin (anticancer drug) binds to DNA. This finding clarifies its mechanism and aids in designing improved cancer therapies.

Keywords:
DNA recognitionDNA repaircancerdrug-DNAnucleotide excision repair

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Area of Science:

  • Structural Biology
  • Medicinal Chemistry
  • Oncology

Background:

  • Trabectedin is a clinically used anticancer drug effective against soft tissue sarcomas and ovarian cancer.
  • Understanding trabectedin's interaction with DNA is crucial for elucidating its mechanism of action.
  • A detailed crystal structure of trabectedin bound to DNA was previously unavailable.

Purpose of the Study:

  • To determine the high-resolution crystal structure of a covalent trabectedin-DNA complex.
  • To elucidate the precise binding mode, drug-DNA interactions, and conformational changes.
  • To explain trabectedin's DNA sequence preference and guide future drug design.

Main Methods:

  • X-ray crystallography was employed to obtain a 1.8 Å resolution structure.
  • Analysis of the crystal structure revealed the adduct's conformation and position within the DNA minor groove.

Main Results:

  • The crystal structure of the covalent trabectedin-DNA complex was successfully determined at 1.8 Å resolution.
  • Numerous specific interactions between trabectedin and DNA were identified.
  • Conformational alterations in both trabectedin and DNA upon binding were observed and characterized.
  • The structural data provided insights into trabectedin's DNA sequence specificity.

Conclusions:

  • The determined crystal structure provides unprecedented atomic-level detail of trabectedin-DNA binding.
  • This structural understanding facilitates further investigation into trabectedin's anticancer mechanism.
  • The findings will aid in the rational design of novel trabectedin analogues with potentially enhanced therapeutic properties.