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2GDS
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BU of 2gds by Molmil
Interrupting the Hydrogen Bonding Network at the Active Site of Human Manganese Superoxide Dismutase
Descriptor: MANGANESE (II) ION, Superoxide dismutase
Authors:Perry, J.J.
Deposit date:2006-03-16
Release date:2006-03-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Interrupting the Hydrogen Bond Network at the Active Site of Human Manganese Superoxide Dismutase
J.Biol.Chem., 274, 1999
3M9J
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BU of 3m9j by Molmil
Crystal structure of human thioredoxin C69/73S double mutant, reduced form
Descriptor: Thioredoxin
Authors:Weichsel, A, Montfort, W.R.
Deposit date:2010-03-22
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure of human thioredoxin revealing an unraveled helix and exposed S-nitrosation site.
Protein Sci., 19, 2010
4ZPT
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BU of 4zpt by Molmil
Structure of MERS-Coronavirus Spike Receptor-binding Domain (England1 Strain) in Complex with Vaccine-Elicited Murine Neutralizing Antibody D12 (Crystal Form 1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D12 Fab Heavy chain, D12 Fab Light chain, ...
Authors:Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D.
Deposit date:2015-05-08
Release date:2015-10-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.591 Å)
Cite:Evaluation of candidate vaccine approaches for MERS-CoV
Nat Commun, 6, 2015
4P4J
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BU of 4p4j by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor T33D
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Barinka, C.
Deposit date:2014-03-12
Release date:2015-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities.
Febs J., 283, 2016
7SG4
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BU of 7sg4 by Molmil
Structure of SARS-CoV S protein in complex with Receptor Binding Domain antibody DH1047
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1047 Heavy chain, DH1047 light chain, ...
Authors:Gobeil, S, Acharya, P.
Deposit date:2021-10-04
Release date:2021-11-10
Last modified:2022-02-09
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:A broadly cross-reactive antibody neutralizes and protects against sarbecovirus challenge in mice.
Sci Transl Med, 14, 2022
7DVK
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BU of 7dvk by Molmil
PyrI4 in complex with intermolecular Diels-Alder product
Descriptor: GLYCEROL, Spiro-conjugate synthase, methyl 4-[[(1S,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoate
Authors:Kashyap, R, Addlagatta, A.
Deposit date:2021-01-13
Release date:2021-08-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Exo-selective intermolecular Diels-Alder reaction by PyrI4 and AbnU on non-natural substrates.
Commun Chem, 2021
7DVI
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BU of 7dvi by Molmil
Crystal Structure of AbnU: An exo-specific intermolecular Diels-Alderase
Descriptor: 1,2-ETHANEDIOL, AOC_like domain-containing protein, DIMETHYL SULFOXIDE
Authors:Kashyap, R, Addlagatta, A.
Deposit date:2021-01-13
Release date:2021-08-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exo-selective intermolecular Diels-Alder reaction by PyrI4 and AbnU on non-natural substrates.
Commun Chem, 2021
7RWZ
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BU of 7rwz by Molmil
SaPIbov5 procapsid structure including size redirecting protein Ccm
Descriptor: Cos capsid morphogenesis protein (Ccm), Major capsid protein
Authors:Hawkins, N.C, Kizziah, J.L, Dokland, T.
Deposit date:2021-08-20
Release date:2021-11-17
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Shape shifter: redirection of prolate phage capsid assembly by staphylococcal pathogenicity islands.
Nat Commun, 12, 2021
7SJS
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BU of 7sjs by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody CC40.8
Descriptor: ACETATE ION, CC40.8 Fab heavy chain, CC40.8 Fab light chain, ...
Authors:Yuan, M, Wilson, I.A.
Deposit date:2021-10-18
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.612 Å)
Cite:A human antibody reveals a conserved site on beta-coronavirus spike proteins and confers protection against SARS-CoV-2 infection.
Sci Transl Med, 14, 2022
4P5O
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BU of 4p5o by Molmil
Structure of an RBX1-UBC12~NEDD8-CUL1-DCN1 complex: a RING-E3-E2~ubiquitin-like protein-substrate intermediate trapped in action
Descriptor: Cullin-1, DCN1-like protein 1, E3 ubiquitin-protein ligase RBX1, ...
Authors:Scott, D.C, Schulman, B.A.
Deposit date:2014-03-18
Release date:2014-07-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.1071 Å)
Cite:Structure of a RING E3 Trapped in Action Reveals Ligation Mechanism for the Ubiquitin-like Protein NEDD8.
Cell, 157, 2014
7S8R
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BU of 7s8r by Molmil
Crystal Structure of HLA A*1101 in complex with SALEWIKNK, an 9-mer epitope from Influenza B
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
Authors:Nguyen, A.T, Szeto, C, Gras, S.
Deposit date:2021-09-19
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:HLA-A*11:01-restricted CD8+ T cell immunity against influenza A and influenza B viruses in Indigenous and non-Indigenous people.
Plos Pathog., 18, 2022
7S8Q
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BU of 7s8q by Molmil
Crystal Structure of HLA A*1101 in complex with KTNGNAFIGK, an 10-mer epitope from Influenza B
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
Authors:Nguyen, A.T, Szeto, C, Gras, S.
Deposit date:2021-09-19
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:HLA-A*11:01-restricted CD8+ T cell immunity against influenza A and influenza B viruses in Indigenous and non-Indigenous people.
Plos Pathog., 18, 2022
7S8S
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BU of 7s8s by Molmil
Crystal Structure of HLA A*1101 in complex with RVLVNGTFLK, an 10-mer epitope from Influenza B
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
Authors:Nguyen, A.T, Szeto, C, Gras, S.
Deposit date:2021-09-19
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:HLA-A*11:01-restricted CD8+ T cell immunity against influenza A and influenza B viruses in Indigenous and non-Indigenous people.
Plos Pathog., 18, 2022
7S76
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BU of 7s76 by Molmil
HBV CAPSID Y132A WITH COMPOUND 10b AT 2.5A RESOLUTION
Descriptor: (1-methyl-1H-1,2,4-triazol-3-yl)methyl {(4S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl}carbamate, Capsid protein
Authors:Olland, A.M, Suto, R.K.
Deposit date:2021-09-15
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The identification of highly efficacious functionalised tetrahydrocyclopenta[ c ]pyrroles as inhibitors of HBV viral replication through modulation of HBV capsid assembly.
Rsc Med Chem, 13, 2022
7SGT
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BU of 7sgt by Molmil
Domain III (EDIII) of the POWV E glycoprotein
Descriptor: Envelope protein E
Authors:Harris, R, Cahill, S.M, Cowburn, D.
Deposit date:2021-10-07
Release date:2022-05-18
Last modified:2022-06-22
Method:SOLUTION NMR
Cite:A Powassan virus domain III nanoparticle immunogen elicits neutralizing and protective antibodies in mice.
Plos Pathog., 18, 2022
4PHW
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BU of 4phw by Molmil
Crystal Structure of PDE10A with 1H-benzimidazol-2-yl(4-((3-(tetrahydro-2H-pyran-4-yl)-2-pyridinyl)oxy)phenyl)methanone
Descriptor: 1H-benzimidazol-2-yl(4-{[3-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]oxy}phenyl)methanone, SULFATE ION, ZINC ION, ...
Authors:Chmait, S.
Deposit date:2014-05-07
Release date:2014-08-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Clinical Candidate 1-(4-(3-(4-(1H-Benzo[d]imidazole-2-carbonyl)phenoxy)pyrazin-2-yl)piperidin-1-yl)ethanone (AMG 579), A Potent, Selective, and Efficacious Inhibitor of Phosphodiesterase 10A (PDE10A).
J.Med.Chem., 57, 2014
7SAV
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BU of 7sav by Molmil
Native mu-conotoxin KIIIA isomer
Descriptor: Mu-conotoxin KIIIA
Authors:Schroeder, C.I, Tran, H.N.T.
Deposit date:2021-09-23
Release date:2022-05-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and functional insights into the inhibition of human voltage-gated sodium channels by mu-conotoxin KIIIA disulfide isomers.
J.Biol.Chem., 298, 2022
4ZWL
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BU of 4zwl by Molmil
2.60 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/Y450L double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289
Descriptor: Betaine-aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-05-19
Release date:2015-05-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:2.60 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/Y450L double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289
To be Published
7RU1
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BU of 7ru1 by Molmil
SARS-CoV-2-6P-Mut7 S protein (C3 symmetry)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RU4
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BU of 7ru4 by Molmil
CC6.33 IgG in complex with SARS-CoV-2-6P-Mut7 S protein (RBD/Fv local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CC6.33 IgG heavy chain Fv, ...
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RU8
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BU of 7ru8 by Molmil
CC6.30 fragment antigen binding in complex with SARS-CoV-2-6P-Mut7 S protein (RBD/Fv local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CC6.30 Fab Kappa chain Fv, ...
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RU6
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BU of 7ru6 by Molmil
Cryo-EM structure of the HIV-1 restriction factor human SERINC3
Descriptor: Serine incorporator 3, SiA
Authors:Purdy, M.D, Leonhardt, S.A, Yeager, M.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2023-09-06
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Antiviral HIV-1 SERINC restriction factors disrupt virus membrane asymmetry.
Nat Commun, 14, 2023
7RU3
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BU of 7ru3 by Molmil
CC6.33 IgG in complex with SARS-CoV-2-6P-Mut7 S protein (non-uniform refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RUG
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BU of 7rug by Molmil
Human SERINC3-DeltaICL4
Descriptor: Serine incorporator 3, SiA
Authors:Purdy, M.D, Leonhardt, S.A, Yeager, M.
Deposit date:2021-08-17
Release date:2022-08-24
Last modified:2023-09-06
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Antiviral HIV-1 SERINC restriction factors disrupt virus membrane asymmetry.
Nat Commun, 14, 2023
7RU2
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BU of 7ru2 by Molmil
SARS-CoV-2-6P-Mut7 S protein (asymmetric)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022

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數據於2024-07-17公開中

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