Structure of CD4 mimetic BNM-III-170 in complex with BG505 SOSIP.664 HIV-1 Env trimer and 17b Fab
Resolution: 3.9 Å
EM Method: Single-particle
Fitted PDBs: 7lo6
Q-score: 0.456
Jette CA, Barnes CO, Kirk SM, Melillo B, Smith III AB, Bjorkman PJ
Nat Commun (2021) 12 pp. 1950-1950 [ Pubmed: 33782388 DOI: doi:10.1038/s41467-021-21816-x ]
- Hiv-1 envelope glycoprotein bg505 sosip.664 gp41 (17 kDa, Protein from Human immunodeficiency virus 1)
- Envelope glycoprotein bg505 sosip.664 gp120 (53 kDa, Protein from Human immunodeficiency virus 1)
- 17b fab heavy chain (25 kDa, Protein from Homo sapiens)
- Bg505 sosip.664 hiv-1 env trimer (Complex from Human immunodeficiency virus 1)
- 17b fab light chain (23 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- ~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-5-(methylaminomethyl)-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide (446 Da, Ligand)
- 17b fab (Complex from Homo sapiens)
- Complex of bg505 sosip.664 env with cd4 mimetic bnm-iii-170 and 17b fab (Complex)
Structure of CD4 mimetic M48U1 in complex with BG505 SOSIP.664 HIV-1 Env trimer and 17b Fab
Resolution: 3.9 Å
EM Method: Single-particle
Fitted PDBs: 7lok
Q-score: 0.45
Jette CA, Barnes CO, Kirk SM, Melillo B, Smith III AB, Bjorkman PJ
Nat Commun (2021) 12 pp. 1950-1950 [ Pubmed: 33782388 DOI: doi:10.1038/s41467-021-21816-x ]
- Envelope glycoprotein bg505 sosip.664 gp120 (53 kDa, Protein from Human immunodeficiency virus 1)
- Envelope glycoprotein bg505 sosip.664 gp41 (17 kDa, Protein from Human immunodeficiency virus 1)
- 17b fab heavy chain (25 kDa, Protein from Homo sapiens)
- 17b antibody fab (Complex from Homo sapiens)
- M48u1 (Complex from Leiurus quinquestriatus hebraeus)
- Bg505 sosip.664 env (Complex from Human immunodeficiency virus 1)
- Human immunodeficiency virus 1 (Complex)
- 17b fab light chain (23 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- M48u1 (3 kDa, Protein from Leiurus quinquestriatus hebraeus)
C3 symmetry reconstruction of CD4- and 17-bound B41 HIV-1 Env SOSIP in complex with DDM
Resolution: 3.5 Å
EM Method: Single-particle
Fitted PDBs: 6opo
Q-score: 0.448
Ozorowski G, Torres JL, Santos-Martins D, Forli S, Ward AB
Cell Rep (2020) 33 pp. 108428-108428 [ DOI: doi:10.1016/j.celrep.2020.108428 Pubmed: 33238117 ]
- 17b fab heavy chain (24 kDa, Protein from Homo sapiens)
- Envelope glycoprotein gp41 (17 kDa, Protein from Human immunodeficiency virus 1)
- Dodecyl-beta-d-maltoside (510 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Hiv-1 env b41 sosip in complex with soluble cd4, 17b fab and ddm (630 kDa, Complex from Human immunodeficiency virus 1)
- Envelope glycoprotein gp160 (58 kDa, Protein from Human immunodeficiency virus 1)
- T-cell surface glycoprotein cd4 (23 kDa, Protein from Homo sapiens)
- 17b fab light chain (23 kDa, Protein from Homo sapiens)
Asymmetric reconstruction of CD4- and 17-bound B41 HIV-1 Env SOSIP in complex with DDM
Resolution: 3.7 Å
EM Method: Single-particle
Fitted PDBs: 6opp
Q-score: 0.411
Ozorowski G, Torres JL, Santos-Martins D, Forli S, Ward AB
Cell Rep (2020) 33 pp. 108428-108428 [ DOI: doi:10.1016/j.celrep.2020.108428 Pubmed: 33238117 ]
- 17b fab heavy chain (24 kDa, Protein from Homo sapiens)
- Envelope glycoprotein gp41 (17 kDa, Protein from Human immunodeficiency virus 1)
- Dodecyl-beta-d-maltoside (510 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Hiv-1 env b41 sosip in complex with soluble cd4, 17b fab and ddm (630 kDa, Complex from Human immunodeficiency virus 1)
- Envelope glycoprotein gp160 (58 kDa, Protein from Human immunodeficiency virus 1)
- T-cell surface glycoprotein cd4 (23 kDa, Protein from Homo sapiens)
- 17b fab light chain (23 kDa, Protein from Homo sapiens)
Resolution: 3.8 Å
EM Method: Single-particle
Fitted PDBs: 6opq
Q-score: 0.363
Ozorowski G, Torres JL, Santos-Martins D, Forli S, Ward AB
Cell Rep (2020) 33 pp. 108428-108428 [ DOI: doi:10.1016/j.celrep.2020.108428 Pubmed: 33238117 ]
- 17b fab heavy chain (24 kDa, Protein from Homo sapiens)
- Class 1 of cd4- and 17b-bound hiv-1 env b41 sosip incubated with lmng and small molecule go27 (50 kDa, Complex from Human immunodeficiency virus 1)
- Envelope glycoprotein gp41 (17 kDa, Protein from Human immunodeficiency virus 1)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Envelope glycoprotein gp160 (58 kDa, Protein from Human immunodeficiency virus 1)
- T-cell surface glycoprotein cd4 (23 kDa, Protein from Homo sapiens)
- 17b fab light chain (23 kDa, Protein from Homo sapiens)
Resolution: 3.6 Å
EM Method: Single-particle
Fitted PDBs: 6x5b
Q-score: 0.396
Ozorowski G, Torres JL, Santos-Martins D, Forli S, Ward AB
Cell Rep (2020) 33 pp. 108428-108428 [ DOI: doi:10.1016/j.celrep.2020.108428 Pubmed: 33238117 ]
- N-(4'-methyl[1,1'-biphenyl]-4-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide (336 Da, Ligand)
- 17b fab heavy chain (24 kDa, Protein from Homo sapiens)
- Envelope glycoprotein gp41 (17 kDa, Protein from Human immunodeficiency virus 1)
- B41 hiv-1 env sosip in complex with soluble cd4, 17b fab, and small molecule go52 (630 kDa, Complex from Human immunodeficiency virus 1)
- T-cell surface glycoprotein cd4 (23 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Envelope glycoprotein gp120 (58 kDa, Protein from Human immunodeficiency virus 1)
- 17b fab light chain (23 kDa, Protein from Homo sapiens)
BG505 SOSIP in complex with sCD4, 17b, 8ANC195
Resolution: 3.54 Å
EM Method: Single-particle
Fitted PDBs: 6cm3
Q-score: 0.465
Wang H, Barnes CO, Yang Z, Nussenzweig MC, Bjorkman PJ
Cell Host Microbe (2018) 24 pp. 579-592.e4 [ Pubmed: 30308160 DOI: doi:10.1016/j.chom.2018.09.003 ]
- 8anc195 fab heavy chain (26 kDa, Protein from Homo sapiens)
- 17b fab heavy chain (24 kDa, Protein from Homo sapiens)
- Bg505 sosip in complex with scd4, 17b, 8anc195 (Complex from Human immunodeficiency virus 1)
- Envelope glycoprotein gp160 (17 kDa, Protein from Human immunodeficiency virus 1)
- 8anc195 fab light chain (23 kDa, Protein from Homo sapiens)
- 17b fab light chain (23 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- T-cell surface glycoprotein cd4 (21 kDa, Protein from Homo sapiens)
- Envelope glycoprotein gp160 (54 kDa, Protein from Human immunodeficiency virus 1)
Resolution: 3.7 Å
EM Method: Single-particle
Fitted PDBs: 5vn3
Q-score: 0.416
Ozorowski G, Pallesen J, de Val N, Lyumkis D, Cottrell CA, Torres JL, Copps J, Stanfield RL, Cupo A, Pugach P, Moore JP, Wilson IA, Ward AB
Nature (2017) 547 pp. 360-363 [ DOI: doi:10.1038/nature23010 Pubmed: 28700571 ]
- Envelope glycoprotein gp160 (57 kDa, Protein from Human immunodeficiency virus 1)
- 17b fab heavy chain (24 kDa, Protein from Homo sapiens)
- Envelope glycoprotein gp160 (17 kDa, Protein from Human immunodeficiency virus 1)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- T-cell surface glycoprotein cd4 (20 kDa, Protein from Homo sapiens)
- Cd4 (2-domain) (Complex from Homo sapiens)
- Hiv-1 env b41 sosip.664 (Complex from Human immunodeficiency virus 1)
- 17b fragment antigen (Complex from Homo sapiens)
- Hiv-1 env b41 sosip.664 in complex with soluble cd4 (2-domain) and 17b fragment antigen binding (630 kDa, Complex)
- 17b fab light chain (23 kDa, Protein from Homo sapiens)