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3MIW
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Crystal Structure of Rotavirus NSP4
Descriptor: 1,2-ETHANEDIOL, Non-structural glycoprotein 4
Authors:Chacko, A.R, Read, R.J, Dodson, E.J, Rao, D.C, Suguna, K.
Deposit date:2010-04-12
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A new pentameric structure of rotavirus NSP4 revealed by molecular replacement.
Acta Crystallogr.,Sect.D, 68, 2012
5U4Y
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IgG Fc bound to 3 helix of the B-domain from Protein A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-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, IgG1 fc, Immunoglobulin G-binding protein A, ...
Authors:Ultsch, M.H, Eigenbrot, C.
Deposit date:2016-12-06
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4994 Å)
Cite:3-2-1: Structural insights from stepwise shrinkage of a three-helix Fc-binding domain to a single helix.
Protein Eng. Des. Sel., 30, 2017
8JTD
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BJOX2000.664 trimer in complex with Fab fragment of broadly neutralizing HIV antibody PGT145
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PGT145 antibody fragment, ...
Authors:Chatterjee, A, Chen, C, Lee, K, Mangala Prasad, V.
Deposit date:2023-06-21
Release date:2023-10-25
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:An HIV-1 broadly neutralizing antibody overcomes structural and dynamic variation through highly focused epitope targeting.
Npj Viruses, 1, 2023
8JTM
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CNE55.664 trimer in complex with broadly neutralizing HIV antibody PGT145
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PGT145 antibody fragment, ...
Authors:Chatterjee, A, Chen, C, Lee, K, Mangala Prasad, V.
Deposit date:2023-06-22
Release date:2023-10-25
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (5.14 Å)
Cite:An HIV-1 broadly neutralizing antibody overcomes structural and dynamic variation through highly focused epitope targeting.
Npj Viruses, 1, 2023
8JBA
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Discovery and Crystallography Study of Novel Oxadiazole Analogs as Small Molecule PD-1/PD-L1 inhibitors
Descriptor: (2~{S})-2-[[3-[[5-[(2-methyl-3-phenyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methylamino]-3-oxidanyl-propanoic acid, Programmed cell death 1 ligand 1
Authors:Cheng, Y, Xiao, Y.B.
Deposit date:2023-05-08
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery and Crystallography Study of Novel Biphenyl Ether and Oxadiazole Thioether (Non-Arylmethylamine)-Based Small-Molecule PD-1/PD-L1 Inhibitors as Immunotherapeutic Agents.
J.Med.Chem., 66, 2023
8J6Z
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BU of 8j6z by Molmil
Cryo-EM structure of the Arabidopsis thaliana photosystem I(PSI-LHCII-ST2)
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Chen, S.J.B, Wu, J.H, Sui, S.F, Zhang, L.X.
Deposit date:2023-04-26
Release date:2023-11-15
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Regulatory dynamics of the higher-plant PSI-LHCI supercomplex during state transitions.
Mol Plant, 16, 2023
8J7B
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Coordinates of Cryo-EM structure of the Arabidopsis thaliana PSI in state 2 (PSI-ST2)
Descriptor: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Chen, S.J.B, Wu, J.H, Sui, S.F, Zhang, L.X.
Deposit date:2023-04-27
Release date:2023-11-15
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Regulatory dynamics of the higher-plant PSI-LHCI supercomplex during state transitions.
Mol Plant, 16, 2023
8J7A
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Coordinates of Cryo-EM structure of the Arabidopsis thaliana PSI in state 1 (PSI-ST1)
Descriptor: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Chen, S.J.B, Wu, J.H, Sui, S.F, Zhang, L.X.
Deposit date:2023-04-27
Release date:2023-11-15
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Regulatory dynamics of the higher-plant PSI-LHCI supercomplex during state transitions.
Mol Plant, 16, 2023
5UDC
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BU of 5udc by Molmil
Crystal Structure of RSV F A2 Bound to MEDI8897
Descriptor: CHLORIDE ION, Fusion glycoprotein F0, MEDI8897 Fab Heavy Chain, ...
Authors:McLellan, J.S.
Deposit date:2016-12-26
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:A highly potent extended half-life antibody as a potential RSV vaccine surrogate for all infants.
Sci Transl Med, 9, 2017
5UE2
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proMMP-7 with heparin octasaccharide bridging between domains
Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, Matrilysin, ...
Authors:Fulcher, Y.G, Prior, S.H, Linhardt, R.J, Van Doren, S.R.
Deposit date:2016-12-29
Release date:2017-07-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Glycan Activation of a Sheddase: Electrostatic Recognition between Heparin and proMMP-7.
Structure, 25, 2017
5UK2
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CryoEM structure of an influenza virus receptor-binding site antibody-antigen interface - Class 4
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 HA1, ...
Authors:Liu, Y, Pan, J, Caradonna, T, Jenni, S, Raymond, D.D, Schmidt, A.G, Harrison, S.C, Grigorieff, N.
Deposit date:2017-01-19
Release date:2017-05-31
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:CryoEM Structure of an Influenza Virus Receptor-Binding Site Antibody-Antigen Interface.
J. Mol. Biol., 429, 2017
5UJZ
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CryoEM structure of an influenza virus receptor-binding site antibody-antigen interface - Class 1
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 HA1, ...
Authors:Liu, Y, Pan, J, Caradonna, T, Jenni, S, Raymond, D.D, Schmidt, A.G, Harrison, S.C, Grigorieff, N.
Deposit date:2017-01-19
Release date:2017-05-31
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:CryoEM Structure of an Influenza Virus Receptor-Binding Site Antibody-Antigen Interface.
J. Mol. Biol., 429, 2017
5VAJ
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BU of 5vaj by Molmil
BhRNase H - amide-RNA/DNA complex
Descriptor: ACETATE ION, DNA (5'-D(*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*C)-3'), GLYCEROL, ...
Authors:Pallan, P.S, Egli, M.
Deposit date:2017-03-27
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Amide linkages mimic phosphates in RNA interactions with proteins and are well tolerated in the guide strand of short interfering RNAs.
Nucleic Acids Res., 45, 2017
5O4E
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BU of 5o4e by Molmil
Crystal structure of VEGF in complex with heterodimeric Fcab JanusCT6
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Mlynek, G, Lobner, E, Kubinger, K, Humm, A, Obinger, C, Djinovic-Carugo, K.
Deposit date:2017-05-29
Release date:2017-08-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Two-faced Fcab prevents polymerization with VEGF and reveals thermodynamics and the 2.15 angstrom crystal structure of the complex.
MAbs, 9, 2017
5NSL
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BU of 5nsl by Molmil
Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with fructose and hydroxytyrosol
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2017-04-26
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fructosylation of Hydroxytyrosol by the Beta-Fructofuranosidase from Xanthophyllomyces dendrorhous: Insights into the Molecular Basis of the Enzyme Specificity
Chemcatchem, 2018
5O4Y
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Structure of human PD-L1 in complex with inhibitor
Descriptor: PHE-MAA-ASN-PRO-HIS-LEU-SER-TRP-SER-TRP-9KK-9KK-ARG-CCS-GLY-NH2, Programmed cell death 1 ligand 1
Authors:Magiera, K, Grudnik, P, Dubin, G, Holak, T.A.
Deposit date:2017-05-31
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bioactive Macrocyclic Inhibitors of the PD-1/PD-L1 Immune Checkpoint.
Angew. Chem. Int. Ed. Engl., 56, 2017
5O45
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Structure of human PD-L1 in complex with inhibitor
Descriptor: PHE-MEA-9KK-SAR-ASP-VAL-MEA-TYR-SAR-TRP-TYR-LEU-CCS-GLY-NH2, Programmed cell death 1 ligand 1
Authors:Magiera, K, Grudnik, P, Dubin, G, Holak, T.A.
Deposit date:2017-05-26
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Bioactive Macrocyclic Inhibitors of the PD-1/PD-L1 Immune Checkpoint.
Angew. Chem. Int. Ed. Engl., 56, 2017
5N2D
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BU of 5n2d by Molmil
Structure of PD-L1/small-molecule inhibitor complex
Descriptor: Programmed cell death 1 ligand 1, ~{N}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]ethyl]ethanamide
Authors:Guzik, K, Zak, K.M, Grudnik, P, Dubin, G, Holak, T.A.
Deposit date:2017-02-07
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1.
J. Med. Chem., 60, 2017
5NSC
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BU of 5nsc by Molmil
Fc DEKK heterodimer variant
Descriptor: Fc-III peptide, GLYCEROL, Putative uncharacterized protein DKFZp686C11235, ...
Authors:De Nardis, C, Hendriks, L.J.A, Poirier, E, Arvinte, T, Gros, P, Bakker, A.B.H, de Kruif, J.
Deposit date:2017-04-26
Release date:2017-07-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A new approach for generating bispecific antibodies based on a common light chain format and the stable architecture of human immunoglobulin G1.
J. Biol. Chem., 292, 2017
5NUZ
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Junin virus GP1 glycoprotein in complex with an antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Zeltina, A, Krumm, S.A, Sahin, M, Struwe, W.B, Harlos, K, Nunberg, J.H, Crispin, M, Pinschewer, D.D, Doores, K.J, Bowden, T.A.
Deposit date:2017-05-03
Release date:2017-06-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Convergent immunological solutions to Argentine hemorrhagic fever virus neutralization.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5O47
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Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with fructosyl-hydroxytyrosol
Descriptor: 1,2-ETHANEDIOL, 2-(3,4-dihydroxyphenyl)ethyl beta-D-fructofuranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2017-05-26
Release date:2018-11-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Fructosylation of Hydroxytyrosol by the beta-Fructofuranosidase from Xanthophyllomyces dendrorhous: Insights into the Molecular Basis of the Enzyme Specificity
Chem.Cat.Chem, 2018
5NIU
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BU of 5niu by Molmil
Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor
Descriptor: (2~{R})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic acid, 1,2-ETHANEDIOL, Programmed cell death 1 ligand 1
Authors:Zak, K.M, Grudnik, P, Skalniak, L, Dubin, G, Holak, T.A.
Deposit date:2017-03-27
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Small-molecule inhibitors of PD-1/PD-L1 immune checkpoint alleviate the PD-L1-induced exhaustion of T-cells.
Oncotarget, 8, 2017
5N2F
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Structure of PD-L1/small-molecule inhibitor complex
Descriptor: 4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid, Programmed cell death 1 ligand 1
Authors:Guzik, K, Zak, K.M, Grudnik, P, Dubin, G, Holak, T.A.
Deposit date:2017-02-07
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1.
J. Med. Chem., 60, 2017
4R2G
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BU of 4r2g by Molmil
Crystal Structure of PGT124 Fab bound to HIV-1 JRCSF gp120 core and to CD4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Garces, F, Wilson, I.A.
Deposit date:2014-08-11
Release date:2014-10-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.283 Å)
Cite:Structural Evolution of Glycan Recognition by a Family of Potent HIV Antibodies.
Cell(Cambridge,Mass.), 159, 2014
4RQS
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BU of 4rqs by Molmil
Crystal structure of fully glycosylated HIV-1 gp120 core bound to CD4 and 17b Fab
Descriptor: 17b Fab Heavy Chain, 17b Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kong, L, Wilson, I.A, Kwong, P.D.
Deposit date:2014-11-05
Release date:2014-12-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (4.493 Å)
Cite:Crystal structure of a fully glycosylated HIV-1 gp120 core reveals a stabilizing role for the glycan at Asn262.
Proteins, 83, 2015

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數據於2024-06-26公開中

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