ISDA: 29AI

Deposition Date 2026-03-03

Release Date 2026-07-29

Last Version Date 2026-08-26

Entry Detail

PDB ID:

29AI

Keywords:

ANTIBIOTIC

Title:

Crystal structure of EcLpxC complexed with compound 7a

Biological Source:

Source Organism(s):

Escherichia coli (Taxon ID: 562)

Expression System(s):

Escherichia coli bl21(de3)

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

2.62 Å

R-Value Free:

0.26

R-Value Work:

0.24

R-Value Observed:

0.24

Space Group:

P 21 21 2

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Macromolecular Entities

Structures with similar UniProt ID

Structural Superimposition Protein Blast

Polymer Type:polypeptide(L)
Molecule:UDP-3-O-acyl-N-acetylglucosam
Gene (Uniprot):lpxC
Chain IDs:A, B, C, D
Chain Length:0
Number of Molecules:4
Biological Source:Escherichia coli

UniProt ID:A7ZHI7 Pfam ID:PF03331 EC:3.5.1.108

Ligand Molecules

A1J1S

SO4

Primary Citation

Discovery and Optimization of Novel Nonhydroxamate LpxC Inhibitors for the Treatment of Multidrug-Resistant Gram-Negative Infections.

Martin, D.P, Teng, M, Nammalwar, B, Perez, C, Li, X, Munguia, J, Taganov, K, Fan, J, Agarwalla, S, Lonergan, D, Tomaras, A.P, Zimmerman, Z, Puerta, D.T.Show

J.Med.Chem. 69 18692 18704 (2026)

PMID: 42593942 DOI: 10.1021/acs.jmedchem.6c01036

Primary Citation of related structures

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