| pubmed-article:17444627 | rdf:type | pubmed:Citation | lld:pubmed |
| pubmed-article:17444627 | lifeskim:mentions | umls-concept:C0019704 | lld:lifeskim |
| pubmed-article:17444627 | lifeskim:mentions | umls-concept:C0086418 | lld:lifeskim |
| pubmed-article:17444627 | lifeskim:mentions | umls-concept:C1333336 | lld:lifeskim |
| pubmed-article:17444627 | lifeskim:mentions | umls-concept:C0056695 | lld:lifeskim |
| pubmed-article:17444627 | lifeskim:mentions | umls-concept:C1167622 | lld:lifeskim |
| pubmed-article:17444627 | lifeskim:mentions | umls-concept:C0004083 | lld:lifeskim |
| pubmed-article:17444627 | lifeskim:mentions | umls-concept:C1521761 | lld:lifeskim |
| pubmed-article:17444627 | lifeskim:mentions | umls-concept:C1328819 | lld:lifeskim |
| pubmed-article:17444627 | lifeskim:mentions | umls-concept:C0021469 | lld:lifeskim |
| pubmed-article:17444627 | lifeskim:mentions | umls-concept:C2698650 | lld:lifeskim |
| pubmed-article:17444627 | lifeskim:mentions | umls-concept:C0961954 | lld:lifeskim |
| pubmed-article:17444627 | lifeskim:mentions | umls-concept:C1100939 | lld:lifeskim |
| pubmed-article:17444627 | pubmed:issue | 10 | lld:pubmed |
| pubmed-article:17444627 | pubmed:dateCreated | 2007-5-10 | lld:pubmed |
| pubmed-article:17444627 | pubmed:abstractText | Human immunodeficiency virus 1 (HIV-1) trans-activator Tat recruits the human transcriptional coactivator PCAF (p300/CREB binding protein-associated factor) to facilitate transcription of the integrated HIV-1 provirus. We report here structure-based lead optimization of small-molecule inhibitors that block selectively Tat and PCAF association in cells. Our lead optimization was guided by grand-canonical ensemble simulation of the receptor/lead complex that leads to definition of chemical modifications with improved lead affinity through displacing weakly bound water molecules at the ligand-receptor interface. | lld:pubmed |
| pubmed-article:17444627 | pubmed:language | eng | lld:pubmed |
| pubmed-article:17444627 | pubmed:journal | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:17444627 | pubmed:citationSubset | IM | lld:pubmed |
| pubmed-article:17444627 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:17444627 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:17444627 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:17444627 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:17444627 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:17444627 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:17444627 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:17444627 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:17444627 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:17444627 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:17444627 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:17444627 | pubmed:status | MEDLINE | lld:pubmed |
| pubmed-article:17444627 | pubmed:month | May | lld:pubmed |
| pubmed-article:17444627 | pubmed:issn | 0022-2623 | lld:pubmed |
| pubmed-article:17444627 | pubmed:author | pubmed-author:MujtabaShiraz... | lld:pubmed |
| pubmed-article:17444627 | pubmed:author | pubmed-author:ZhouMing-Ming... | lld:pubmed |
| pubmed-article:17444627 | pubmed:author | pubmed-author:ZengLeiL | lld:pubmed |
| pubmed-article:17444627 | pubmed:author | pubmed-author:WangZhiyongZ | lld:pubmed |
| pubmed-article:17444627 | pubmed:author | pubmed-author:MullerMichael... | lld:pubmed |
| pubmed-article:17444627 | pubmed:author | pubmed-author:MezeiMihalyM | lld:pubmed |
| pubmed-article:17444627 | pubmed:author | pubmed-author:LiJiamingJ | lld:pubmed |
| pubmed-article:17444627 | pubmed:author | pubmed-author:PanChongfengC | lld:pubmed |
| pubmed-article:17444627 | pubmed:issnType | Print | lld:pubmed |
| pubmed-article:17444627 | pubmed:day | 17 | lld:pubmed |
| pubmed-article:17444627 | pubmed:volume | 50 | lld:pubmed |
| pubmed-article:17444627 | pubmed:owner | NLM | lld:pubmed |
| pubmed-article:17444627 | pubmed:authorsComplete | Y | lld:pubmed |
| pubmed-article:17444627 | pubmed:pagination | 2285-8 | lld:pubmed |
| pubmed-article:17444627 | pubmed:dateRevised | 2008-11-21 | lld:pubmed |
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| pubmed-article:17444627 | pubmed:meshHeading | pubmed-meshheading:17444627... | lld:pubmed |
| pubmed-article:17444627 | pubmed:meshHeading | pubmed-meshheading:17444627... | lld:pubmed |
| pubmed-article:17444627 | pubmed:meshHeading | pubmed-meshheading:17444627... | lld:pubmed |
| pubmed-article:17444627 | pubmed:year | 2007 | lld:pubmed |
| pubmed-article:17444627 | pubmed:articleTitle | Structure-guided optimization of small molecules inhibiting human immunodeficiency virus 1 Tat association with the human coactivator p300/CREB binding protein-associated factor. | lld:pubmed |
| pubmed-article:17444627 | pubmed:publicationType | Journal Article | lld:pubmed |
| pubmed-article:17444627 | pubmed:publicationType | Research Support, Non-U.S. Gov't | lld:pubmed |
| pubmed-article:17444627 | pubmed:publicationType | Research Support, N.I.H., Extramural | lld:pubmed |
| http://linkedlifedata.com/r... | http://linkedlifedata.com/r... | pubmed-article:17444627 | lld:chembl |
| http://linkedlifedata.com/r... | entrezgene:pubmed | pubmed-article:17444627 | lld:entrezgene |
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