1NLJ

CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT AZEPANONE INHIBITOR

Summary for 1NLJ

Entry DOI	10.2210/pdb1nlj/pdb
Related	1atk 1au0 1nL6
Descriptor	CATHEPSIN K, BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[3-OXO-1-(PYRIDIN-2-YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE (2 entities in total)
Functional Keywords	hydrolase, sulfhydryl proteinase
Biological source	Homo sapiens (human)
Cellular location	Lysosome: P43235
Total number of polymer chains	2
Total formula weight	48100.17
Authors	Smith, W.W.,Janson, C.A.,Zhao, B. (deposition date: 2003-01-07, release date: 2003-01-14, Last modification date: 2023-08-16)
Primary citation	Marquis, R.W.,Ru, Y.,LoCastro, S.M.,Zeng, J.,Yamashita, D.S.,Oh, H.J.,Erhard, K.F.,Davis, L.D.,Tomaszek, T.A.,Tew, D.,Salyers, K.,Proksch, J.,Ward, K.,Smith, B.,Levy, M.,Cummings, M.D.,Haltiwanger, R.C.,Trescher, G.,Wang, B.,Hemling, M.E.,Quinn, C.J.,Cheng, H.-Y.,Lin, F.,Smith, W.W.,Janson, C.A.,Zhao, B.,McQueney, M.S.,D'Alessio, K.,Lee, C.P.,Marzulli, A.,Dodds, R.A.,Blake, S.,Hwang, S.M.,James, I.E.,Gress, C.J.,Bradley, B.R.,Lark, M.W.,Gowen, M.,Veber, D.F. Azepanone-Based Inhibitors of Human and Rat Cathepsin K J.Med.Chem., 44:1380-1395, 2001 Cited by PubMed: 11311061 DOI: 10.1021/jm000481x PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.4 Å)

Structure validation