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1EAS

NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 3. DESIGN, SYNTHESIS, X-RAY CRYSTALLOGRAPHIC ANALYSIS, AND STRUCTURE-ACTIVITY RELATIONSHIPS FOR A SERIES OF ORALLY ACTIVE 3-AMINO-6-PHENYLPYRIDIN-2-ONE TRIFLUOROMETHYL KETONES

Experimental procedure
Spacegroup nameP 21 21 21
Unit cell lengths51.950, 57.730, 75.560
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution10.000 - 1.800
R-factor0.183
Rwork0.183
RMSD bond length0.010
RMSD bond angle1.620
Phasing softwareX-PLOR
Refinement softwareX-PLOR
Data quality characteristics
 Overall
Number of reflections19195
Completeness [%]88.0
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1unknown

*

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PDB entries from 2024-10-30

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