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. Author manuscript; available in PMC: 2011 Apr 22.
Published in final edited form as: J Med Chem. 2010 Apr 22;53(8):3013–3027. doi: 10.1021/jm9012938

Table 2.

MBL inhibitors that were co-crystalized with the enzymes. Binding mode for each inhibitor is illustrated by three symbols (yellow diamond, metal-ligating group; green hexagon, hydrophobic group; red arch, electrostatically interacting group). a and b designate two different binding modes that were observed for the same inhibitor, depending on the different subclass of interacting MBLs.

Structural Class Chemical Structure MBL [subclass]
(PDB entry code)
Biphenyl tetrazole graphic file with name nihms-179933-t0013.jpg CcrA [B1]
(1A8T)
Tricyclic compounds graphic file with name nihms-179933-t0014.jpg CcrA [B1]
(1KR3, 1HLK)
Dicarboxylic acid graphic file with name nihms-179933-t0015.jpg L1 [B3]
(2GFJ)
Dicarboxylic acid graphic file with name nihms-179933-t0016.jpg L1 [B3]
(2GFK)
Dicarboxylic acid graphic file with name nihms-179933-t0017.jpg CphA [B2]
(2GKL)
Dicarboxylic acid graphic file with name nihms-179933-t0018.jpg IMP-1 [B1]
(1JJE)
Dicarboxylic acid graphic file with name nihms-179933-t0019.jpg IMP-1 [B1]
(1JJT)
Thiol graphic file with name nihms-179933-t0020.jpg L1 [B3]
(2QDT)
Thiol graphic file with name nihms-179933-t0021.jpg CphA [B2] (2QDS)
L1 [B3] (2FU8)
BlaB [B1] (1M2X)
FEZ-1 [B3] (1JT1)
Thiol graphic file with name nihms-179933-t0022.jpg L1 [B3]
(2FU9)
Thiol graphic file with name nihms-179933-t0023.jpg IMP-1 [B1]
(2DOO)
Thiol graphic file with name nihms-179933-t0024.jpg VIM-2 [B1]
(2YZ3)
Thiol graphic file with name nihms-179933-t0025.jpg IMP-1 [B1]
(1DD6)
Thiol graphic file with name nihms-179933-t0026.jpg L1 [B3]
(2HB9)