6QGJ

Structure of human Bcl-2 in complex with fragment/ABT-263 hybrid

Summary for 6QGJ

• Entry DOI: 10.2210/pdb6qgj/pdb
• Related: 6QG8 6QGG 6QGH
• Descriptor: Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, 4-[4-[(1~{R})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{N}-[4-[[(2~{R})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide (3 entities in total)
• Functional Keywords: apoptosis, bcl2, abt-763, drug design
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 1
• Total formula weight: 21423.59

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: 2024-01-24)

• 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; PubMed: 31459977; DOI: 10.1021/acsomega.9b00611

Experimental method

X-RAY DIFFRACTION (1.9 Å)