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PDBsum entry 1xuo
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Immune system
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PDB id
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1xuo
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Contents |
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* Residue conservation analysis
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PDB id:
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| Name: |
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Immune system
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Title:
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X-ray structure of lfa-1 i-domain bound to a 1,4-diazepane-2,5-dione inhibitor at 1.8a resolution
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Structure:
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Integrin alpha-l. Chain: a, b. Fragment: i-domain. Synonym: leukocyte adhesion glycoprotein lfa-1 alpha chain, lfa-1a, leukocyte function associated molecule 1, alpha chain, cd11a. Engineered: yes
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli bl21. Expression_system_taxid: 511693.
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Resolution:
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1.80Å
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R-factor:
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0.185
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R-free:
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0.214
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Authors:
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S.Wattanasin,J.Kallen,S.Myers,Q.Guo,M.Sabio,C.Ehrhardt,R.Albert, U.Hommel,G.Weckbecker,K.Welzenbach
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Key ref:
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S.Wattanasin
et al.
(2005).
1,4-Diazepane-2,5-diones as novel inhibitors of LFA-1.
Bioorg Med Chem Lett,
15,
1217-1220.
PubMed id:
DOI:
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Date:
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26-Oct-04
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Release date:
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26-Oct-05
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PROCHECK
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Headers
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References
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P20701
(ITAL_HUMAN) -
Integrin alpha-L from Homo sapiens
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Seq:
Struc:
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1170 a.a.
181 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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*
PDB and UniProt seqs differ
at 1 residue position (black
cross)
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DOI no:
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Bioorg Med Chem Lett
15:1217-1220
(2005)
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PubMed id:
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1,4-Diazepane-2,5-diones as novel inhibitors of LFA-1.
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S.Wattanasin,
J.Kallen,
S.Myers,
Q.Guo,
M.Sabio,
C.Ehrhardt,
R.Albert,
U.Hommel,
G.Weckbecker,
K.Welzenbach,
G.Weitz-Schmidt.
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ABSTRACT
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1,4-Diazepane-2,5-diones (2) are found to be a new class of potent LFA-1
inhibitors. The synthesis, structure, and biological evaluation of these
1,4-diazepine-2,5-diones and related derivatives are described.
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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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D.Cox,
M.Brennan,
and
N.Moran
(2010).
Integrins as therapeutic targets: lessons and opportunities.
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Nat Rev Drug Discov,
9,
804-820.
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P.Gros,
F.J.Milder,
and
B.J.Janssen
(2008).
Complement driven by conformational changes.
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Nat Rev Immunol,
8,
48-58.
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P.M.Fischer
(2008).
Computational chemistry approaches to drug discovery in signal transduction.
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Biotechnol J,
3,
452-470.
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D.C.Fry
(2006).
Protein-protein interactions as targets for small molecule drug discovery.
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Biopolymers,
84,
535-552.
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F.J.Milder,
H.C.Raaijmakers,
M.D.Vandeputte,
A.Schouten,
E.G.Huizinga,
R.A.Romijn,
W.Hemrika,
A.Roos,
M.R.Daha,
and
P.Gros
(2006).
Structure of complement component C2A: implications for convertase formation and substrate binding.
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Structure,
14,
1587-1597.
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PDB codes:
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M.Abdelbaqi,
J.H.Chidlow,
K.M.Matthews,
K.P.Pavlick,
S.C.Barlow,
A.J.Linscott,
M.B.Grisham,
M.R.Fowler,
and
C.G.Kevil
(2006).
Regulation of dextran sodium sulfate induced colitis by leukocyte beta 2 integrins.
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Lab Invest,
86,
380-390.
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M.Braddock,
and
C.Murray
(2006).
10th anniversary Inflammation and Immune Diseases Drug Discovery and Development Summit. 20-21 March 2006, New Brunswick, USA.
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Expert Opin Investig Drugs,
15,
721-727.
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N.Dieltiens,
D.D.Claeys,
B.Allaert,
F.Verpoort,
and
C.V.Stevens
(2005).
Synthesis of 1,3-dioxo-hexahydropyrido[1,2-c][1,3]diazepine carboxylates, a new bicyclic skeleton formed by ring expansion-RCM methodology.
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Chem Commun (Camb),
(),
4477-4478.
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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.
Where a reference describes a PDB structure, the PDB
codes are
shown on the right.
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Links
