ISDA: 9MB4

Deposition Date 2025-03-15

Release Date 2026-03-11

Last Version Date 2026-03-11

Entry Detail

PDB ID:

9MB4

Keywords:

HYDROLASE

Title:

Metal Beta Lactamase NDM-1 in Complex with Dual MBL/SBL Inhibitor 14

Biological Source:

Source Organism(s):

Klebsiella pneumoniae (Taxon ID: 573)

Expression System(s):

Escherichia coli bl21(de3)

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

2.44 Å

R-Value Free:

0.27

R-Value Work:

0.17

R-Value Observed:

0.17

Space Group:

P 1 21 1

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Macromolecular Entities

Structures with similar UniProt ID

Protein Blast

Polymer Type:polypeptide(L)
Molecule:Metallo-beta-lactamase type 2
Gene (Uniprot):blaNDM-1
Chain IDs:A, B, C, D
Chain Length:241
Number of Molecules:4
Biological Source:Klebsiella pneumoniae

UniProt ID:C7C422 EC:3.5.2.6

Ligand Molecules

A1ENL

Primary Citation

Structural Optimization of Bicyclic Oxo-Boronates as Dual Metallo- and Serine-beta-Lactamase Inhibitors.

Yang, Z.B, Wei, S.Q, Wang, Y.G, Dong, X.M, Xu, H.X, Li, X.L, Peng, J, Yin, R.C, Li, G.B.Show

J.Med.Chem. 68 21807 21828 (2025)

PMID: 41082617 DOI: 10.1021/acs.jmedchem.5c02230

Primary Citation of related structures

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