3ZSO: Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based design

PDB ID: 3ZSODownload
MMDB ID: 101164
PDB Deposition Date: 2011/6/30
Updated in MMDB: 2023/12
Experimental Method:
x-ray diffraction
Resolution: 1.75  Å
Source Organism:
Similar Structures:
Biological Unit for 3ZSO: dimeric; determined by author and by software (PISA)
Molecular Components in 3ZSO
Label Count Molecule
Proteins (2 molecules)
2
Integrase
Molecule annotation
Chemicals and Non-standard biopolymers (16 molecules)
1
8
SULFATE IONSULFATE ION
2
4
ACETIC ACIDACETIC ACID
3
2
SODIUM IONSODIUM ION
4
2
5-{[(2-{[bis(4-methoxyphenyl)methyl]carbamoyl}benzyl)(prop-2-en-1-yl)amino]methyl}-1,3-benzodioxole-4-carboxylic acid5-{[(2-{[bis(4-methoxyphenyl)methyl]carbamoyl}benzyl)(prop-2-en-1-yl)amino]methyl}-1,3-benzodioxole-4-carboxylic acid
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303