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* Residue conservation analysis
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PDB id:
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Hydrolase
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Title:
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Design and synthesis of conformationally-constrained mmp inhibitors
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Structure:
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Protein (stromelysin-1 complex). Chain: a, b. Synonym: mmp3. Engineered: yes. Other_details: complexed to pgv-25680
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 562
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Resolution:
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2.50Å
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R-factor:
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0.247
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R-free:
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0.275
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Authors:
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M.G.Natchus,M.Cheng,C.T.Wahl,S.Pikul,N.G.Almstead, R.S.Bradley,Y.O.Taiwo,G.E.Mieling,C.M.Dunaway,C.E.Snider, J.M.Mciver,B.L.Barnett,S.J.Mcphail,M.B.Anastasio,B.De
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Key ref:
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M.G.Natchus
et al.
(1998).
Design and synthesis of conformationally-constrained MMP inhibitors.
Bioorg Med Chem Lett,
8,
2077-2080.
PubMed id:
DOI:
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Date:
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19-Jun-98
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Release date:
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16-Jul-99
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PROCHECK
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Headers
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References
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P08254
(MMP3_HUMAN) -
Stromelysin-1
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Seq:
Struc:
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477 a.a.
169 a.a.
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Key: |
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PfamA domain |
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Secondary structure |
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CATH domain |
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Enzyme class:
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E.C.3.4.24.17
- Stromelysin 1.
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Reaction:
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Preferential cleavage where P1', P2' and P3' are hydrophobic residues.
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Cofactor:
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Calcium; Zinc
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Gene Ontology (GO) functional annotation
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Cellular component
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extracellular matrix
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1 term
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Biological process
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proteolysis
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1 term
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Biochemical function
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metallopeptidase activity
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3 terms
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DOI no:
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Bioorg Med Chem Lett
8:2077-2080
(1998)
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PubMed id:
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Design and synthesis of conformationally-constrained MMP inhibitors.
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M.G.Natchus,
M.Cheng,
C.T.Wahl,
S.Pikul,
N.G.Almstead,
R.S.Bradley,
Y.O.Taiwo,
G.E.Mieling,
C.M.Dunaway,
C.E.Snider,
J.M.McIver,
B.L.Barnett,
S.J.McPhail,
M.B.Anastasio,
B.De.
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ABSTRACT
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A novel series of conformationally constrained matrix metalloprotease inhibitors
was identified. The potencies observed for these inhibitors were highly
dependent upon the substitution pattern on the caprolactam ring as well as the
succinate moiety.
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Literature references that cite this PDB file's key reference
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PubMed id
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Reference
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M.Kontoyianni,
G.S.Sokol,
and
L.M.McClellan
(2005).
Evaluation of library ranking efficacy in virtual screening.
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J Comput Chem, 26,
11-22.
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B.De,
M.G.Natchus,
M.Cheng,
S.Pikul,
N.G.Almstead,
Y.O.Taiwo,
C.E.Snider,
L.Chen,
B.Barnett,
F.Gu,
and
M.Dowty
(1999).
The next generation of MMP inhibitors. Design and synthesis.
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Ann N Y Acad Sci, 878,
40-60.
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The most recent references are shown first.
Citation data come partly from CiteXplore and partly
from an automated harvesting procedure. Note that this is likely to be
only a partial list as not all journals are covered by
either method. However, we are continually building up the citation data
so more and more references will be included with time.
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Links
