View source for 9d4d


==Crystal structure of the catalytic region of human MASP-2 with specific inhibitor Compound S3==
<StructureSection load='9d4d' size='340' side='right'caption='[[9d4d]], [[Resolution|resolution]] 2.36&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[9d4d]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=9D4D OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=9D4D FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.36&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=A1A10:2-(2-azanyl-1~{H}-benzimidazol-4-yl)-~{N}-[4-(pyridin-4-ylmethyl)phenyl]ethanamide'>A1A10</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=9d4d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=9d4d OCA], [https://pdbe.org/9d4d PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=9d4d RCSB], [https://www.ebi.ac.uk/pdbsum/9d4d PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=9d4d ProSAT]</span></td></tr>
</table>
== Disease ==
[https://www.uniprot.org/uniprot/MASP2_HUMAN MASP2_HUMAN] Defects in MASP2 are the cause of MASP2 deficiency (MASPD) [MIM:[https://omim.org/entry/613791 613791]. MASPD is a disorder that results in autoimmune manifestations, recurrent severe infections, and chronic inflammatory disease.<ref>PMID:12904520</ref> <ref>PMID:17252003</ref> 
== Function ==
[https://www.uniprot.org/uniprot/MASP2_HUMAN MASP2_HUMAN] Serum protease that plays an important role in the activation of the complement system via mannose-binding lectin. After activation by auto-catalytic cleavage it cleaves C2 and C4, leading to their activation and to the formation of C3 convertase.<ref>PMID:10946292</ref> 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The complement system of innate immunity recognizes, opsonizes, and kills invading pathogens and damaged cells, and stimulates an inflammatory response. Inappropriate or excessive complement activity is associated with a wide variety of pathological conditions, and several drugs targeting complement components have been approved. Here we describe the discovery and structure-activity relationships of a novel class of 2-aminoimidazole-containing inhibitors of mannan-binding lectin-associated serine proteases -2 and -3 (MASP-2 and MASP-3), essential enzymes for activation of the lectin and alternative pathways of complement, respectively. With a high degree of target selectivity and favorable in vitro pharmacological properties, this inhibitor series has the potential to be developed as treatments for numerous diseases and pathological conditions.

Small molecule inhibitors of mannan-binding lectin-associated serine Proteases-2 and-3.,Nakhla MC, Comita J, Shapiro AB, Moussa SH, Chen A, Eyermann CJ, O'Donnell JP, Miller AA, Granger BA Eur J Med Chem. 2025 May 5;289:117238. doi: 10.1016/j.ejmech.2025.117238. Epub , 2025 Jan 9. PMID:40010268<ref>PMID:40010268</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 9d4d" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Large Structures]]
[[Category: Carter J]]
[[Category: Moussa SH]]
[[Category: Sawyer TK]]
[[Category: Wibowo AS]]