6QGK

Structure of human Bcl-2 in complex with THIQ-phenyl pyrazole compound

Summary for 6QGK

Entry DOI	10.2210/pdb6qgk/pdb
Related	6QG8 6qgg 6qgh 6qgj
Descriptor	Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, 1-[2-[[(3~{S})-3-(aminomethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]phenyl]-~{N},~{N}-dibutyl-5-methyl-pyrazole-3-carboxamide, ACETATE ION, ... (4 entities in total)
Functional Keywords	apoptosis, bcl2, drug design, small molecule inhibitor
Biological source	Homo sapiens (Human) More
Total number of polymer chains	1
Total formula weight	20886.11
Authors	Dokurno, P.,Murray, J.,Davidson, J.,Chen, I.,Davis, B.,Graham, C.J.,Harris, R.,Jordan, A.M.,Matassova, N.,Pedder, C.,Ray, S.,Roughley, S.,Smith, J.,Walmsley, C.,Wang, Y.,Whitehead, N.,Williamson, D.S.,Casara, P.,Le Diguarher, T.,Hickman, J.,Stark, J.,Kotschy, A.,Geneste, O.,Hubbard, R.E. (deposition date: 2019-01-11, release date: 2019-06-12, Last modification date: 2019-09-18)
Primary citation	Murray, J.B.,Davidson, J.,Chen, I.,Davis, B.,Dokurno, P.,Graham, C.J.,Harris, R.,Jordan, A.,Matassova, N.,Pedder, C.,Ray, S.,Roughley, S.D.,Smith, J.,Walmsley, C.,Wang, Y.,Whitehead, N.,Williamson, D.S.,Casara, P.,Le Diguarher, T.,Hickman, J.,Stark, J.,Kotschy, A.,Geneste, O.,Hubbard, R.E. Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4:8892-8906, 2019 Cited by PubMed: 31459977 DOI: 10.1021/acsomega.9b00611 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation