Human transthyretin covalently modified with A2-derived stilbene in the canonical conformation
Resolution: 2.7 Å
EM Method: Single-particle
Fitted PDBs: 8ve1
Q-score: 0.607
Basanta B, Nugroho K, Yan N, Kline GM, Powers ET, Tsai FJ, Wu M, Hansel-Harris A, Chen J, Forli S, Kelly JW, Lander GC
To Be Published
- Transthyretin (56 kDa, Complex from Homo sapiens)
- 3-(dimethylamino)-5-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid (311 Da, Ligand)
- Transthyretin (13 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
CD4- and 17-bound HIV-1 Env B41 SOSIP in complex with small molecule GO35
Resolution: 3.5 Å
EM Method: Single-particle
Fitted PDBs: 6opn
Q-score: 0.386
Ozorowski G, Torres JL, Santos-Martins D, Forli S, Ward AB
Cell Rep (2020) 33 pp. 108428-108428 [ Pubmed: 33238117 DOI: doi:10.1016/j.celrep.2020.108428 ]
- Envelope glycoprotein gp41 (17 kDa, Protein 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)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Cd4- and 17b-bound hiv-1 env b41 sosip in complex with small molecule go35 (50 kDa, Complex from Human immunodeficiency virus 1)
- 17b fragment antigen binding (Complex)
- [3'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl](piperidin-1-yl)methanone (347 Da, Ligand)
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 [ Pubmed: 33238117 DOI: doi:10.1016/j.celrep.2020.108428 ]
- Envelope glycoprotein gp41 (17 kDa, Protein from Human immunodeficiency virus 1)
- Dodecyl-beta-d-maltoside (510 Da, Ligand)
- Envelope glycoprotein gp160 (58 kDa, Protein from Human immunodeficiency virus 1)
- Hiv-1 env b41 sosip in complex with soluble cd4, 17b fab and ddm (630 kDa, Complex from Human immunodeficiency virus 1)
- 17b fab light chain (23 kDa, Protein from Homo sapiens)
- T-cell surface glycoprotein cd4 (23 kDa, Protein from Homo sapiens)
- 17b fab heavy chain (24 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
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 [ Pubmed: 33238117 DOI: doi:10.1016/j.celrep.2020.108428 ]
- Envelope glycoprotein gp41 (17 kDa, Protein from Human immunodeficiency virus 1)
- Dodecyl-beta-d-maltoside (510 Da, Ligand)
- Envelope glycoprotein gp160 (58 kDa, Protein from Human immunodeficiency virus 1)
- Hiv-1 env b41 sosip in complex with soluble cd4, 17b fab and ddm (630 kDa, Complex from Human immunodeficiency virus 1)
- 17b fab light chain (23 kDa, Protein from Homo sapiens)
- T-cell surface glycoprotein cd4 (23 kDa, Protein from Homo sapiens)
- 17b fab heavy chain (24 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
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 [ Pubmed: 33238117 DOI: doi:10.1016/j.celrep.2020.108428 ]
- 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)
- Envelope glycoprotein gp160 (58 kDa, Protein from Human immunodeficiency virus 1)
- 17b fab light chain (23 kDa, Protein from Homo sapiens)
- T-cell surface glycoprotein cd4 (23 kDa, Protein from Homo sapiens)
- 17b fab heavy chain (24 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
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 [ Pubmed: 33238117 DOI: doi:10.1016/j.celrep.2020.108428 ]
- Envelope glycoprotein gp41 (17 kDa, Protein from Human immunodeficiency virus 1)
- 17b fab light chain (23 kDa, Protein from Homo sapiens)
- T-cell surface glycoprotein cd4 (23 kDa, Protein from Homo sapiens)
- B41 hiv-1 env sosip in complex with soluble cd4, 17b fab, and small molecule go52 (630 kDa, Complex from Human immunodeficiency virus 1)
- 17b fab heavy chain (24 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)
- N-(4'-methyl[1,1'-biphenyl]-4-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide (336 Da, Ligand)
Resolution: 4.04 Å
EM Method: Single-particle
Fitted PDBs: 6x5c
Q-score: 0.341
Ozorowski G, Torres JL, Santos-Martins D, Forli S, Ward AB
Cell Rep (2020) 33 pp. 108428-108428 [ Pubmed: 33238117 DOI: doi:10.1016/j.celrep.2020.108428 ]
- Envelope glycoprotein gp41 (17 kDa, Protein 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)
- B41 hiv-1 env sosip in complex with soluble cd4, 17b fab, and small molecule go52 (630 kDa, Complex from Human immunodeficiency virus 1)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- N-(4'-methyl[1,1'-biphenyl]-4-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide (336 Da, Ligand)
Structure of HIV cleaved synaptic complex (CSC) intasome bound with calcium
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 6put
Q-score: 0.579
Passos DO, Li M, Jozwik IK, Zhao XZ, Santos-Martins D, Yang R, Smith SJ, Jeon Y, Forli S, Hughes SH, Burke Jr TR, Craigie R, Lyumkis D
Science (2020) 367 pp. 810-814 [ DOI: doi:10.1126/science.aay8015 Pubmed: 32001521 ]
- Zinc ion (65 Da, Ligand)
- Viral dna transferred strand (7 kDa, DNA from Human immunodeficiency virus 1)
- Assembly of hiv integrase and viral dna (400 kDa, Complex from Human immunodeficiency virus 1)
- Water (18 Da, Ligand)
- Calcium ion (40 Da, Ligand)
- Viral dna non-transferred strand (8 kDa, DNA from Human immunodeficiency virus 1)
- Chimeric sso7d and hiv-1 integrase (42 kDa, Protein from Human immunodeficiency virus 1)
Structure of HIV cleaved synaptic complex (CSC) intasome bound with magnesium and Bictegravir (BIC)
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 6puw
Q-score: 0.573
Passos DO, Li M, Jozwik IK, Zhao XZ, Santos-Martins D, Yang R, Smith SJ, Jeon Y, Forli S, Hughes SH, Burke Jr TR, Craigie R, Lyumkis D
Science (2020) 367 pp. 810-814 [ Pubmed: 32001521 DOI: doi:10.1126/science.aay8015 ]
- Chimeric sso7d and hiv-1 integrase (42 kDa, Protein from Human immunodeficiency virus 1)
- Viral dna non-transferred strand (8 kDa, DNA from Human immunodeficiency virus 1)
- Water (18 Da, Ligand)
- Assembly of hiv integrase and viral dna (400 kDa, Complex from hiv)
- Viral dna transferred strand (7 kDa, DNA from Human immunodeficiency virus 1)
- Magnesium ion (24 Da, Ligand)
- Bictegravir (449 Da, Ligand)
- Zinc ion (65 Da, Ligand)
Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 6puy
Q-score: 0.591
Passos DO, Li M, Jozwik IK, Zhao XZ, Santos-Martins D, Yang R, Smith SJ, Jeon Y, Forli S, Hughes SH, Burke Jr TR, Craigie R, Lyumkis D
Science (2020) 367 pp. 810-814 [ Pubmed: 32001521 DOI: doi:10.1126/science.aay8015 ]
- Chimeric sso7d and hiv-1 integrase (42 kDa, Protein from Human immunodeficiency virus 1)
- 4-amino-n-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide (446 Da, Ligand)
- Viral dna non-transferred strand (8 kDa, DNA from Human immunodeficiency virus 1)
- Assembly of hiv integrase and viral dna (400 kDa, Complex from Human immunodeficiency virus 1)
- Viral dna transferred strand (7 kDa, DNA from Human immunodeficiency virus 1)
- Magnesium ion (24 Da, Ligand)
- Water (18 Da, Ligand)
- Zinc ion (65 Da, Ligand)