1n1l

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[[Image:1n1l.jpg|left|200px]]<br /><applet load="1n1l" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1n1l.jpg|left|200px]]
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caption="1n1l, resolution 2.60&Aring;" />
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'''CRYSTAL STRUCTURE OF HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX WITH COVALENTLY BOUND INHIBITOR (GW472467X)'''<br />
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{{Structure
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|PDB= 1n1l |SIZE=350|CAPTION= <scene name='initialview01'>1n1l</scene>, resolution 2.60&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene> and <scene name='pdbligand=TRL:{1-[2-(1-FORMYL-PROPYL)-3-METHANESULFONYLAMINO-PYRROLIDINE-1-CARBONYL]-2-METHYL-PROPYL}-CARBAMIC ACID TERT-BUTYL ESTER'>TRL</scene>
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|ACTIVITY=
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|GENE= H STRAIN ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11103 Hepatitis C virus])
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}}
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'''CRYSTAL STRUCTURE OF HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX WITH COVALENTLY BOUND INHIBITOR (GW472467X)'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1N1L is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Hepatitis_c_virus Hepatitis c virus] with <scene name='pdbligand=ZN:'>ZN</scene> and <scene name='pdbligand=TRL:'>TRL</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1N1L OCA].
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1N1L is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Hepatitis_c_virus Hepatitis c virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1N1L OCA].
==Reference==
==Reference==
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Pyrrolidine-5,5-trans-lactams. 2. The use of X-ray crystal structure data in the optimization of P3 and P4 substituents., Andrews DM, Chaignot H, Coomber BA, Good AC, Hind SL, Johnson MR, Jones PS, Mills G, Robinson JE, Skarzynski T, Slater MJ, Somers DO, Org Lett. 2002 Dec 12;4(25):4479-82. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12465917 12465917]
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Pyrrolidine-5,5-trans-lactams. 2. The use of X-ray crystal structure data in the optimization of P3 and P4 substituents., Andrews DM, Chaignot H, Coomber BA, Good AC, Hind SL, Johnson MR, Jones PS, Mills G, Robinson JE, Skarzynski T, Slater MJ, Somers DO, Org Lett. 2002 Dec 12;4(25):4479-82. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/12465917 12465917]
[[Category: Hepatitis c virus]]
[[Category: Hepatitis c virus]]
[[Category: Protein complex]]
[[Category: Protein complex]]
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[[Category: helicase]]
[[Category: helicase]]
[[Category: inhibitor]]
[[Category: inhibitor]]
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[[Category: nonstructural proteins]]
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[[Category: nonstructural protein]]
[[Category: serine protease]]
[[Category: serine protease]]
[[Category: viral protein]]
[[Category: viral protein]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:01:17 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 12:50:55 2008''

Revision as of 10:50, 20 March 2008

Image:1n1l.jpg


PDB ID 1n1l

Drag the structure with the mouse to rotate
, resolution 2.60Å
Ligands: and
Gene: H STRAIN (Hepatitis C virus)
Coordinates: save as pdb, mmCIF, xml



CRYSTAL STRUCTURE OF HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX WITH COVALENTLY BOUND INHIBITOR (GW472467X)


Overview

[reaction: see text] In this, the second of two letters, we describe the elaboration of the pyrrolidine-5,5-trans-lactam template to delineate the requirements for optimal substitution of the pyrrolidine and lactam nitrogen atoms. Central to the strategy is the use of rapid iterative synthesis in conjunction with X-ray crystal structure determination of ligand-protein complexes.

About this Structure

1N1L is a Protein complex structure of sequences from Hepatitis c virus. Full crystallographic information is available from OCA.

Reference

Pyrrolidine-5,5-trans-lactams. 2. The use of X-ray crystal structure data in the optimization of P3 and P4 substituents., Andrews DM, Chaignot H, Coomber BA, Good AC, Hind SL, Johnson MR, Jones PS, Mills G, Robinson JE, Skarzynski T, Slater MJ, Somers DO, Org Lett. 2002 Dec 12;4(25):4479-82. PMID:12465917

Page seeded by OCA on Thu Mar 20 12:50:55 2008

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