8C8D

Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 44).

Summary for 8C8D

Entry DOI	10.2210/pdb8c8d/pdb
Descriptor	DNA cross-link repair 1A protein, (2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide, ZINC ION, ... (4 entities in total)
Functional Keywords	exonuclease, snm1a, nuclease inhibition, hydrolase
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	39774.48
Authors	Yosaatmadja, Y.,Newman, J.A.,Baddock, H.T.,Bielinski, M.,von Delft, F.,Bountra, C.,McHugh, P.J.,Schofield, C.J.,Gileadi, O. (deposition date: 2023-01-19, release date: 2024-01-31, Last modification date: 2024-09-11)
Primary citation	Bielinski, M.,Henderson, L.R.,Yosaatmadja, Y.,Swift, L.P.,Baddock, H.T.,Bowen, M.J.,Brem, J.,Jones, P.S.,McElroy, S.P.,Morrison, A.,Speake, M.,van Boeckel, S.,van Doornmalen, E.,van Groningen, J.,van den Hurk, H.,Gileadi, O.,Newman, J.A.,McHugh, P.J.,Schofield, C.J. Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target. Chem Sci, 15:8227-8241, 2024 Cited by PubMed: 38817593 DOI: 10.1039/d4sc00367e PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.46 Å)

Structure validation