7KWA

Structure of DCN1 bound to N-((4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-(trifluoromethyl)benzamide

Summary for 7KWA

Entry DOI	10.2210/pdb7kwa/pdb
Descriptor	Endolysin,DCN1-like protein 1, N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide (3 entities in total)
Functional Keywords	inhibitor complex, ligase, ligase-inhibitor complex, ligase/inhibitor
Biological source	Enterobacteria phage RB59 More
Total number of polymer chains	1
Total formula weight	44858.89
Authors	Kim, H.S.,Hammill, J.T.,Schulman, B.A.,Guy, R.K.,Scott, D.C. (deposition date: 2020-11-30, release date: 2021-07-14, Last modification date: 2023-10-18)
Primary citation	Kim, H.S.,Hammill, J.T.,Scott, D.C.,Chen, Y.,Rice, A.L.,Pistel, W.,Singh, B.,Schulman, B.A.,Guy, R.K. Improvement of Oral Bioavailability of Pyrazolo-Pyridone Inhibitors of the Interaction of DCN1/2 and UBE2M. J.Med.Chem., 64:5850-5862, 2021 Cited by PubMed: 33945681 DOI: 10.1021/acs.jmedchem.1c00035 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.572 Å)

Structure validation