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6MTN
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BU of 6mtn by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor Compound 484 in Complex with Human Antibodies 3H109L and 35O22 at 3.0 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 scFv heavy chain portion, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-20
Release date:2019-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
6MU8
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Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.5 Angstrom
Descriptor: 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-(4-bromo-7-fluoro-1H-indol-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-22
Release date:2019-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.993 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
6D0U
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BU of 6d0u by Molmil
Crystal structure of C05 V110P/A117E mutant bound to H3 influenza hemagglutinin, HA1 subunit
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody C05 V110P/A117E mutant, heavy chain, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2018-04-11
Release date:2019-01-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Multistate design of influenza antibodies improves affinity and breadth against seasonal viruses.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5A3T
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BU of 5a3t by Molmil
Crystal structure of human PLU-1 (JARID1B) in complex with KDM5-C49 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl) isonicotinic acid).
Descriptor: 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, Strain-Damerell, C, Kupinska, K, BurgessBrown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
Deposit date:2015-06-02
Release date:2015-06-17
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
6CF7
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BU of 6cf7 by Molmil
Crystal structure of the A/Solomon Islands/3/2006(H1N1) influenza virus hemagglutinin in complex with small molecule JNJ4796
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Kadam, R.U, Wilson, I.A.
Deposit date:2018-02-13
Release date:2019-02-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.719 Å)
Cite:A small-molecule fusion inhibitor of influenza virus is orally active in mice.
Science, 363, 2019
6MNF
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BU of 6mnf by Molmil
Anti-HIV-1 Fab 2G12 + Man8 re-refinement
Descriptor: Fab 2G12, light chain, Fab 2g12, ...
Authors:Calarese, D.A, Stanfield, R.L, Wilson, I.A.
Deposit date:2018-10-01
Release date:2018-10-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.758 Å)
Cite:Dissection of the carbohydrate specificity of the broadly neutralizing anti-HIV-1 antibody 2G12.
Proc. Natl. Acad. Sci. U.S.A., 102, 2005
6CHF
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BU of 6chf by Molmil
Crystal structure of a Fc fragment LALA mutant (L234A, L235A) of human IgG1 (crystal form 1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Uncharacterized protein DKFZp686C11235
Authors:Gohain, N, Tolbert, W.D, Pazgier, M.
Deposit date:2018-02-22
Release date:2019-02-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Antigen-Induced Allosteric Changes in a Human IgG1 Fc Increase Low-Affinity Fc gamma Receptor Binding.
Structure, 2020
5W3O
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BU of 5w3o by Molmil
CryoEM structure of rhinovirus B14 in complex with C5 Fab (33 degrees Celsius, molar ratio 1:3, empty particle)
Descriptor: C5 antibody variable heavy domain, C5 antibody variable light domain, viral protein 1, ...
Authors:Liu, Y, Dong, Y, Rossmann, M.G.
Deposit date:2017-06-08
Release date:2017-07-12
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Antibody-induced uncoating of human rhinovirus B14.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6CM3
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BU of 6cm3 by Molmil
BG505 SOSIP in complex with sCD4, 17b, 8ANC195
Descriptor: 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, H, Bjorkman, P.J.
Deposit date:2018-03-02
Release date:2018-10-17
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Partially Open HIV-1 Envelope Structures Exhibit Conformational Changes Relevant for Coreceptor Binding and Fusion.
Cell Host Microbe, 24, 2018
4NUF
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BU of 4nuf by Molmil
Crystal Structure of SHP/EID1
Descriptor: EID1 peptide, Maltose ABC transporter periplasmic protein, Nuclear receptor subfamily 0 group B member 2 chimeric construct, ...
Authors:Zhi, X, Zhou, X.E, He, Y, Zechner, C, Suino-Powell, K.M, Kliewer, S.A, Melcher, K, Mangelsdorf, D.J, Xu, H.E.
Deposit date:2013-12-03
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into gene repression by the orphan nuclear receptor SHP.
Proc.Natl.Acad.Sci.USA, 111, 2014
6N1W
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BU of 6n1w by Molmil
Cryo-EM structure at 4.2 A resolution of vaccine-elicited antibody DFPH-a.15 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DFPH-a.15 Light chain, ...
Authors:Acharya, P, Kwong, P.D.
Deposit date:2018-11-12
Release date:2019-07-24
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
5W5M
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BU of 5w5m by Molmil
Crystal structure of human IgG4-Sigma1 Fc fragment
Descriptor: ACETATE ION, GLYCEROL, Immunoglobulin heavy constant gamma 4, ...
Authors:Armstrong, A.A, Gilliland, G.L.
Deposit date:2017-06-15
Release date:2017-09-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Functional, Biophysical, and Structural Characterization of Human IgG1 and IgG4 Fc Variants with Ablated Immune Functionality.
Antibodies, 6, 2017
6CUF
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Cryo-EM structure at 4.2 A resolution of vaccine-elicited antibody vFP1.01 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
Authors:Acharya, P, Carragher, B, Potter, C.S, Kwong, P.D.
Deposit date:2018-03-26
Release date:2018-07-25
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Complete functional mapping of infection- and vaccine-elicited antibodies against the fusion peptide of HIV.
PLoS Pathog., 14, 2018
5W3L
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BU of 5w3l by Molmil
CryoEM structure of rhinovirus B14 in complex with C5 Fab (4 degrees Celsius, molar ratio 1:3, full particle)
Descriptor: C5 antibody variable heavy domain, C5 antibody variable light domain, viral protein 1, ...
Authors:Liu, Y, Dong, Y, Rossmann, M.G.
Deposit date:2017-06-08
Release date:2017-07-12
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Antibody-induced uncoating of human rhinovirus B14.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W1X
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BU of 5w1x by Molmil
Crystal Structure of Humanpapillomavirus18 (HPV18) Capsid L1 Pentamers Bound to Heparin Oligosaccharides
Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose, 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose, 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose, ...
Authors:Chen, X.S, Dasgupta, J.
Deposit date:2017-06-05
Release date:2018-12-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.374 Å)
Cite:Structural basis of oligosaccharide receptor recognition by human papillomavirus.
J. Biol. Chem., 286, 2011
6CXL
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anti-HIV-1 Fab 2G12 in complex with glycopeptide 10F5
Descriptor: alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose, anti-HIV-1 Fab 2G12 heavy chain, anti-HIV-1 Fab 2G12 light chain
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2018-04-03
Release date:2019-02-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.586 Å)
Cite:Oligomannose Glycopeptide Conjugates Elicit Antibodies Targeting the Glycan Core Rather than Its Extremities.
ACS Cent Sci, 5, 2019
4LY7
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BU of 4ly7 by Molmil
Ancestral RNase H
Descriptor: Ribonuclease H, SULFATE ION
Authors:Hart, K.M, Harms, M.J, Schmidt, B.H, Elya, C, Thornton, J.W, Marqusee, S.
Deposit date:2013-07-30
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Thermodynamic system drift in protein evolution.
Plos Biol., 12, 2014
5DJ6
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Fc Heterodimer Design 6.1 F405W/Y407A + T366M
Descriptor: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-01
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
6MTJ
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BU of 6mtj by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-378806 in Complex with Human Antibodies 3H109L and 35O22 at 2.9 Angstrom
Descriptor: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-19
Release date:2019-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.336 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
5AY8
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BU of 5ay8 by Molmil
Crystal structure of human nucleosome containing H3.Y
Descriptor: CHLORIDE ION, DNA (146-MER), H3.Y, ...
Authors:Kujirai, T, Horikoshi, N, Sato, K, Maehara, K, Machida, S, Osakabe, A, Kimura, H, Ohkawa, Y, Kurumizaka, H.
Deposit date:2015-08-10
Release date:2016-04-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and function of human histone H3.Y nucleosome
Nucleic Acids Res., 44, 2016
2H79
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Crystal Structure of human TR alpha bound T3 in orthorhombic space group
Descriptor: 3,5,3'TRIIODOTHYRONINE, THRA protein
Authors:Nascimento, A.S, Dias, S.M.G, Nunes, F.M, Aparicio, R, Bleicher, L, Ambrosio, A.L.B, Figueira, A.C.M, Santos, M.A.M, Neto, M.O, Fischer, H, Togashi, H.F.M, Craievich, A.F, Garrat, R.C, Baxter, J.D, Webb, P, Polikarpov, I.
Deposit date:2006-06-01
Release date:2006-07-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural rearrangements in the thyroid hormone receptor hinge domain and their putative role in the receptor function.
J.Mol.Biol., 360, 2006
6N2I
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BU of 6n2i by Molmil
Lon protease AAA+ domain
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA-binding ATP-dependent protease La
Authors:Botos, I, Li, M, Wlodawer, A, Gustchina, A.
Deposit date:2018-11-13
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:New insights into structural and functional relationships between LonA proteases and ClpB chaperones.
Febs Open Bio, 9, 2019
5DJ8
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Fc Heterodimer Design 7.7 D399M/Y407A + T366V/K409I
Descriptor: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-01
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DJC
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Fc Heterodimer Design 8.1 L368V/Y407A + T366V/K409F
Descriptor: Fc-III peptide, IODIDE ION, Ig gamma-1 chain C region, ...
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-01
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
4O58
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Crystal structure of broadly neutralizing antibody F045-092 in complex with A/Victoria/3/1975 (H3N2) influenza hemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Lee, P.S, Wilson, I.A.
Deposit date:2013-12-19
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7501 Å)
Cite:Receptor mimicry by antibody F045-092 facilitates universal binding to the H3 subtype of influenza virus.
Nat Commun, 5, 2014

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