Literature summary for 3.4.24.B4 extracted from

Satish Kumar, K.; Velayutham, R.; Roy, K.K.
A systematic computational analysis of human matrix metalloproteinase 13 (MMP-13) crystal structures and structure-based identification of prospective drug candidates as MMP-13 inhibitors repurposable for osteoarthritis (2019), J. Biomol. Struct. Dyn., 12, 1-13 .

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Crystallization (Commentary)

Crystallization (Comment)	Organism
comparison of more than 40 X-ray co-crystal structures of the human MMP-13 with bound inhibitors to gain the structural insights such as conserved direct interactions with binding site residues, namely Ala-238, Thr-245 and Thr-247. Docking-based screening of existing drugs and binding free-energy calculation suggests eltrombopag, cilostazol and domperidone as potential MMP-13 inhibitors	Homo sapiens

Inhibitors

Inhibitors	Comment	Organism	Structure
cilostazol	docking-based screening of existing drugs and binding free-energy calculation suggests eltrombopag, cilostazol and domperidone as potential MMP-13 inhibitors	Homo sapiens
domperidone	docking-based screening of existing drugs and binding free-energy calculation suggests eltrombopag, cilostazol and domperidone as potential MMP-13 inhibitors	Homo sapiens
eltrombopag	docking-based screening of existing drugs and binding free-energy calculation suggests eltrombopag, cilostazol and domperidone as potential MMP-13 inhibitors	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	P45452	-	-

Synonyms

Synonyms	Comment	Organism
collagenase 3	-	Homo sapiens
MMP13	-	Homo sapiens

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Release 2023.1 (January 2023)