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Structure paper

TitleStructure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C.
Journal, issue, pagesBiochem. Pharmacol., Vol. 164, Page 349-367, Year 2019
Publish dateDec 2, 2018 (structure data deposition date)
AuthorsKorkmaz, B. / Lesner, A. / Wysocka, M. / Gieldon, A. / Hakansson, M. / Gauthier, F. / Logan, D.T. / Jenne, D.E. / Lauritzen, C. / Pedersen, J.
External linksBiochem. Pharmacol. / PubMed:30978322
MethodsX-ray diffraction
Resolution1.898 - 2 Å
Structure data

PDB-6ic5:
Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 2
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-6ic6:
Human cathepsin-C in complex with cyclopropyl peptidyl nitrile inhibitor 1
Method: X-RAY DIFFRACTION / Resolution: 1.898 Å

PDB-6ic7:
Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 3
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-CL:
Unknown entry

ChemComp-HB5:
(2~{S})-2-azanyl-~{N}-[(1~{R},2~{R})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide

ChemComp-HOH:
WATER

ChemComp-H9B:
(2~{S})-~{N}-[(1~{R},2~{R})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide

ChemComp-H9H:
1-azanyl-~{N}-[(1~{R},2~{R})-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]cyclohexane-1-carboxamide

Source
  • homo sapiens (human)
KeywordsHYDROLASE / cathepsin-C / cysteine protease / structure-based drug design / arthritis

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