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Literature summary for 2.3.2.23 extracted from

  • Hewitt, W.M.; Lountos, G.T.; Zlotkowski, K.; Dahlhauser, S.D.; Saunders, L.B.; Needle, D.; Tropea, J.E.; Zhan, C.; Wei, G.; Ma, B.; Nussinov, R.; Waugh, D.S.; Schneekloth, J.S.
    Insights into the allosteric inhibition of the SUMO E2 enzyme Ubc9 (2016), Angew. Chem. Int. Ed. Engl., 55, 5703-5707 .
    View publication on PubMedView publication on EuropePMC
Search for more literature for 2.3.2.23

Inhibitors

Inhibitors Comment Organism Structure
3-(2-hydroxyphenyl)pyridin-2(1H)-one
-
 Homo sapiens
5,6-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione
-
 Homo sapiens
5-chloro-1,3-benzoxazole-2-thiol
-
 Homo sapiens
6-chloro-1,3-benzoxazole-2-thiol
-
 Homo sapiens
ethyl 3-(2,2'-dihydroxy[1,1'-biphenyl]-4-yl)propanoate
-
 Homo sapiens
additional information allosteric inhibition of the SUMO E2 enzyme Ubc9. Identification of two distinct small molecule fragments that bind to Ubc9 at a site distal from its catalytic cysteine. These fragments and related compounds inhibit SUMO conjugation to the enzyme with IC50 values of 1.9-5.8 mM. Mechanistic and biophysical analyses, coupled with molecular dynamics simulations, point toward ligand-induced rigidification of Ubc9 as a mechanism of inhibition, overview Homo sapiens
[1,1'-biphenyl]-2,2'-diol
-
 Homo sapiens
[1,1'-biphenyl]-2-ol
-
 Homo sapiens
[1,1'-biphenyl]-2-sulfonamide
-
 Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
S-ubiquitinyl-[E1 ubiquitin-activating enzyme]-L-cysteine + [E2 ubiquitin-conjugating enzyme]-L-cysteine Homo sapiens
-
 [E1 ubiquitin-activating enzyme]-L-cysteine + S-ubiquitinyl-[E2 ubiquitin-conjugating enzyme]-L-cysteine
-
 ?

Organism

Organism UniProt Comment Textmining
Homo sapiens P63279
-
-

Posttranslational Modification

Posttranslational Modification Comment Organism
sumoylation conjugation of the small ubiquitin-like modifier (SUMO) to protein substrates is an important disease-associated posttranslational modification. The E2 enzyme Ubc9 is sumoylated Homo sapiens

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
S-ubiquitinyl-[E1 ubiquitin-activating enzyme]-L-cysteine + [E2 ubiquitin-conjugating enzyme]-L-cysteine
-
 Homo sapiens [E1 ubiquitin-activating enzyme]-L-cysteine + S-ubiquitinyl-[E2 ubiquitin-conjugating enzyme]-L-cysteine
-
 ?

Synonyms

Synonyms Comment Organism
E2 enzyme
-
 Homo sapiens
SUMO E2 enzyme
-
 Homo sapiens
Ubc9
-
 Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
1.9
-
 pH and temperature not specified in the publication Homo sapiens [1,1'-biphenyl]-2-ol
3
-
 pH and temperature not specified in the publication Homo sapiens ethyl 3-(2,2'-dihydroxy[1,1'-biphenyl]-4-yl)propanoate
3
-
 above, pH and temperature not specified in the publication Homo sapiens 6-chloro-1,3-benzoxazole-2-thiol
3
-
 above, pH and temperature not specified in the publication Homo sapiens 5,6-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione
3.1
-
 pH and temperature not specified in the publication Homo sapiens [1,1'-biphenyl]-2-sulfonamide
5.8
-
 pH and temperature not specified in the publication Homo sapiens [1,1'-biphenyl]-2,2'-diol
20
-
 above, pH and temperature not specified in the publication Homo sapiens 3-(2-hydroxyphenyl)pyridin-2(1H)-one

General Information

General Information Comment Organism
additional information molecular dynamics simulations of Ubc9 Homo sapiens