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TitleBinding thermodynamics of substituted diaminopyrimidine renin inhibitors.
Journal, issue, pagesAnal. Biochem., Vol. 360, Page 30-40, Year 2007
Publish dateOct 2, 2006 (structure data deposition date)
AuthorsSarver, R.W. / Peevers, J. / Cody, W.L. / Ciske, F.L. / Dyer, J. / Emerson, S.D. / Hagadorn, J.C. / Holsworth, D.D. / Jalaie, M. / Kaufman, M. ...Sarver, R.W. / Peevers, J. / Cody, W.L. / Ciske, F.L. / Dyer, J. / Emerson, S.D. / Hagadorn, J.C. / Holsworth, D.D. / Jalaie, M. / Kaufman, M. / Mastronardi, M. / McConnell, P. / Powell, N.A. / Quin, J. / Van Huis, C.A. / Zhang, E. / Mochalkin, I.
External linksAnal. Biochem. / PubMed:17113558
MethodsX-ray diffraction
Resolution1.9 - 2.6 Å
Structure data

PDB-2iko:
Crystal Structure of Human Renin Complexed with Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-2iku:
Crystal Structure of Human Renin Complexed with Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-2il2:
Crystal Structure of Human Renin Complexed with Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.24 Å

Chemicals

ChemComp-7IG:
5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE

ChemComp-HOH:
WATER

ChemComp-LIY:
6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]PYRIMIDINE-2,4-DIAMINE

ChemComp-LIX:
N-[2-({2-AMINO-6-ETHYL-5-[4-(3-METHOXYPROPYL)-2,2-DIMETHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL]PYRIMIDIN-4-YL}AMINO)ETHYL]NAPHTHALENE-2-SULFONAMIDE

ChemComp-CIT:
CITRIC ACID

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Renin / Inhibitors / Drug Design

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