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Structure paper

TitleAllosteric Inhibitors, Crystallography, and Comparative Analysis Reveal Network of Coordinated Movement across Human Herpesvirus Proteases.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 139, Page 11650-11653, Year 2017
Publish dateMar 14, 2017 (structure data deposition date)
AuthorsAcker, T.M. / Gable, J.E. / Bohn, M.F. / Jaishankar, P. / Thompson, M.C. / Fraser, J.S. / Renslo, A.R. / Craik, C.S.
External linksJ. Am. Chem. Soc. / PubMed:28759216
MethodsX-ray diffraction
Resolution2.104 - 2.299 Å
Structure data

PDB-5v5d:
Room temperature (280K) crystal structure of Kaposi's sarcoma-associated herpesvirus protease in complex with allosteric inhibitor (compound 250)
Method: X-RAY DIFFRACTION / Resolution: 2.104 Å

PDB-5v5e:
Room temperature (280K) crystal structure of Kaposi's sarcoma-associated herpesvirus protease in complex with allosteric inhibitor (compound 733)
Method: X-RAY DIFFRACTION / Resolution: 2.299 Å

Chemicals

ChemComp-8OY:
4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-(phenylamino)benzoic acid

ChemComp-HOH:
WATER

ChemComp-8N4:
4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-{[3-(trifluoromethoxy)phenyl]amino}benzoic acid

Source
  • human herpesvirus 8
KeywordsVIRAL PROTEIN / INHIBITOR / protease / allosteric inhibitor / herpesvirus / VIRAL PROTEIN - INHIBITOR complex

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