1mui

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[[Image:1mui.gif|left|200px]]
[[Image:1mui.gif|left|200px]]
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{{Structure
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|PDB= 1mui |SIZE=350|CAPTION= <scene name='initialview01'>1mui</scene>, resolution 2.8&Aring;
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The line below this paragraph, containing "STRUCTURE_1mui", creates the "Structure Box" on the page.
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|SITE=
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|LIGAND= <scene name='pdbligand=AB1:N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE'>AB1</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/HIV-1_retropepsin HIV-1 retropepsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.16 3.4.23.16] </span>
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|GENE=
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{{STRUCTURE_1mui| PDB=1mui | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1mui FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1mui OCA], [http://www.ebi.ac.uk/pdbsum/1mui PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1mui RCSB]</span>
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'''Crystal structure of HIV-1 protease complexed with Lopinavir.'''
'''Crystal structure of HIV-1 protease complexed with Lopinavir.'''
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[[Category: Stoll, V.]]
[[Category: Stoll, V.]]
[[Category: Walter, K.]]
[[Category: Walter, K.]]
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[[Category: hydrolase]]
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[[Category: Hydrolase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 01:44:02 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 22:21:19 2008''
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Revision as of 22:44, 2 May 2008

Image:1mui.gif

Template:STRUCTURE 1mui

Crystal structure of HIV-1 protease complexed with Lopinavir.


Overview

The crystal structure of ABT-378 (lopinavir), bound to the active site of HIV-1 protease is described. A comparison with crystal structures of ritonavir, A-78791, and BILA-2450 shows some analogous features with previous reported compounds. A cyclic urea unit in the P(2) position of ABT-378 is novel and makes two bidentate hydrogen bonds with Asp 29 of HIV-1 protease. In addition, a previously unreported shift in the Gly 48 carbonyl position is observed. A discussion of the structural features responsible for its high potency against wild-type HIV protease is given along with an analysis of the effect of active site mutations on potency in in vitro assays.

About this Structure

1MUI is a Single protein structure of sequence from Human immunodeficiency virus 1. Full crystallographic information is available from OCA.

Reference

X-ray crystallographic structure of ABT-378 (lopinavir) bound to HIV-1 protease., Stoll V, Qin W, Stewart KD, Jakob C, Park C, Walter K, Simmer RL, Helfrich R, Bussiere D, Kao J, Kempf D, Sham HL, Norbeck DW, Bioorg Med Chem. 2002 Aug;10(8):2803-6. PMID:12057670 Page seeded by OCA on Sat May 3 01:44:02 2008

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OCA

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