MIPDS: A comprehensive database on the molecular interactions in protein dimer structures

Sanjeevi, M and Rajendran, S and Jeyaraman, J and Sekar, K (2024) MIPDS: A comprehensive database on the molecular interactions in protein dimer structures. In: Journal of Applied Crystallography, 57 . pp. 1667-1675.

PDF Jou_App_Cry_Vol_57.pdf - Published Version Restricted to Registered users only Download (11MB) | Request a copy

Abstract

Although many studies have addressed the significance of interactions in the dimeric structures of proteins, there is no dedicated database of these interactions. To this end, the Molecular Interactions in Protein Dimer Structure (MIPDS) database has been developed; it is an open-Access repository containing 60â� 298 3D structures of dimeric proteins sourced from the Protein Data Bank. This helps researchers comprehend the types of interaction, which include those mediated by water, small molecules or ligands and direct interactions, in 3D structures at the molecular level. The database is accessible through a user-friendly interface, where users can conduct searches based on PDB accession number, interaction type and geometric parameters. It can be viewed in textual and graphical formats using the plug-in JSmol. MIPDS is updated weekly using programmed scripts to incorporate newly released dimeric structures and analyses of their interaction types. The database is intended for the scientific community working in structural biology, structural bioinformatics, drug discovery and development. MIPDS is freely accessible to users worldwide at http://dicsoft1.physics.iisc.ac.in/mipds. © 2024 International Union of Crystallography. All rights reserved.

Item Type:	Journal Article
Publication:	Journal of Applied Crystallography
Publisher:	International Union of Crystallography
Additional Information:	The copyright for this article belongs to publishers.
Keywords:	Controlled drug delivery; Molecular docking; Open access; Targeted drug delivery, 3D Structure; Dimer structure; Dimeric proteins; Dimeric structure; Interface interaction; OpenAccess; Protein data bank; Protein-protein interactions; Small molecules; Water molecule
Department/Centre:	Division of Interdisciplinary Sciences > Computational and Data Sciences
Date Deposited:	18 Nov 2024 16:11
Last Modified:	18 Nov 2024 16:11
URI:	http://eprints.iisc.ac.in/id/eprint/86756

Actions (login required)

View Item