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Structure paper

TitleStructural and Binding Analysis of Pyrimidinol Carboxylic Acid and N-Hydroxy Quinazolinedione HIV-1 RNase H Inhibitors.
Journal, issue, pagesAntimicrob. Agents Chemother., Vol. 55, Page 2905-2915, Year 2011
Publish dateJan 27, 2011 (structure data deposition date)
AuthorsLansdon, E.B. / Liu, Q. / Leavitt, S.A. / Balakrishnan, M. / Perry, J.K. / Lancaster-Moyer, C. / Kutty, N. / Liu, X. / Squires, N.H. / Watkins, W.J. / Kirschberg, T.A.
External linksAntimicrob. Agents Chemother. / PubMed:21464257
MethodsX-ray diffraction
Resolution1.4011 - 2.0926 Å
Structure data

PDB-3qin:
Crystal Structure of HIV-1 RNase H p15 with engineered E. coli loop and pyrimidinol carboxylic acid inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.6967 Å

PDB-3qio:
Crystal Structure of HIV-1 RNase H with engineered E. coli loop and N-hydroxy quinazolinedione inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.4011 Å

PDB-3qip:
Structure of HIV-1 reverse transcriptase in complex with an RNase H inhibitor and nevirapine
Method: X-RAY DIFFRACTION / Resolution: 2.0926 Å

Chemicals

ChemComp-MN:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-P1Y:
2-(3-bromo-4-methoxybenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid

ChemComp-HOH:
WATER

ChemComp-QID:
3-hydroxy-6-(phenylsulfonyl)quinazoline-2,4(1H,3H)-dione

ChemComp-NVP:
11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE / medication, antiretroviral*YM

ChemComp-CL:
Unknown entry

ChemComp-P4Y:
5,6-dihydroxy-2-[(2-phenyl-1H-indol-3-yl)methyl]pyrimidine-4-carboxylic acid

Source
  • human immunodeficiency virus type 1 group m subtype b
  • escherichia coli (strain k12) (bacteria)
  • human immunodeficiency virus type 1 group m subtype b (isolate hxb2)
  • hiv-1 m:b_hxb2r (virus)
KeywordsTRANSFERASE / HYDROLASE/INHIBITOR / RNase H / HIV-1 / inhibitor / nuclease / HYDROLASE-INHIBITOR complex / TRANSFERASE/TRANSFERASE INHIBITOR / HIV / reverse transcriptase / polymerase / TRANSFERASE-TRANSFERASE INHIBITOR complex

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