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2CG1
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BU of 2cg1 by Molmil
AGAO in complex with wc11b (Ru-wire inhibitor, 11-carbon linker, data set b)
Descriptor: COPPER (II) ION, GLYCEROL, PHENYLETHYLAMINE OXIDASE, ...
Authors:Langley, D.B, Duff, A.P, Freeman, H.C, Guss, J.M, Juda, G.A, Dooley, D.M, Contakes, S.M, Halpern-Manners, N.W, Dunn, A.R, Gray, H.B.
Deposit date:2006-02-27
Release date:2007-05-01
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Enantiomer-Specific Binding of Ruthenium(II) Molecular Wires by the Amine Oxidase of Arthrobacter Globiformis.
J.Am.Chem.Soc., 130, 2008
2CFG
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BU of 2cfg by Molmil
AGAO in complex with wc4d3 (Ru-wire inhibitor, 4-carbon linker, delta enantiomer, data set 3)
Descriptor: BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~]{3-[4-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)BUTOXY]-N,N-DIMETHYLANILINATO(2-)}RUTHENIUM, COPPER (II) ION, GLYCEROL, ...
Authors:Langley, D.B, Duff, A.P, Freeman, H.C, Guss, J.M, Juda, G.A, Dooley, D.M, Contakes, S.M, Halpern-Manners, N.W, Dunn, A.R, Gray, H.B.
Deposit date:2006-02-21
Release date:2007-05-01
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Enantiomer-Specific Binding of Ruthenium(II) Molecular Wires by the Amine Oxidase of Arthrobacter Globiformis.
J.Am.Chem.Soc., 130, 2008
2CFK
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BU of 2cfk by Molmil
AGAO in complex with wc5 (Ru-wire inhibitor, 5-carbon linker)
Descriptor: COPPER (II) ION, GLYCEROL, PHENYLETHYLAMINE OXIDASE, ...
Authors:Langley, D.B, Duff, A.P, Freeman, H.C, Guss, J.M, Juda, G.A, Dooley, D.M, Contakes, S.M, Halpern-Manners, N.W, Dunn, A.R, Gray, H.B.
Deposit date:2006-02-21
Release date:2007-05-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enantiomer-specific binding of ruthenium(II) molecular wires by the amine oxidase of Arthrobacter globiformis.
J. Am. Chem. Soc., 130, 2008
2CG0
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BU of 2cg0 by Molmil
AGAO in complex with wc9a (Ru-wire inhibitor, 9-carbon linker, data set a)
Descriptor: COPPER (II) ION, GLYCEROL, PHENYLETHYLAMINE OXIDASE, ...
Authors:Langley, D.B, Duff, A.P, Freeman, H.C, Guss, J.M, Juda, G.A, Dooley, D.M, Contakes, S.M, Halpern-Manners, N.W, Dunn, A.R, Gray, H.B.
Deposit date:2006-02-27
Release date:2007-05-01
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enantiomer-Specific Binding of Ruthenium(II) Molecular Wires by the Amine Oxidase of Arthrobacter Globiformis.
J.Am.Chem.Soc., 130, 2008
5VAS
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BU of 5vas by Molmil
Pekin duck egg lysozyme isoform III (DEL-III), orthorhombic form
Descriptor: GLYCEROL, Lysozyme, PHOSPHATE ION
Authors:Christie, M, Christ, D, Langley, D.B.
Deposit date:2017-03-27
Release date:2018-04-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural basis of antigen recognition: crystal structure of duck egg lysozyme.
Acta Crystallogr D Struct Biol, 73, 2017
5VJO
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BU of 5vjo by Molmil
Complex between HyHEL10 Fab fragment heavy chain mutant I29F and Pekin duck egg lysozyme isoform I (DEL-I)
Descriptor: CHLORIDE ION, HyHEL10 heavy chain Fab fragment carrying I29F mutation., HyHEL10 light chain Fab fragment, ...
Authors:Langley, D.B, Christ, D.
Deposit date:2017-04-19
Release date:2018-04-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Germinal center antibody mutation trajectories are determined by rapid self/foreign discrimination.
Science, 360, 2018
2BT3
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BU of 2bt3 by Molmil
AGAO in complex with Ruthenium-C4-wire at 1.73 angstroms
Descriptor: BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~]{3-[4-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)BUTOXY]-N,N-DIMETHYLANILINATO(2-)}RUTHENIUM, COPPER (II) ION, GLYCEROL, ...
Authors:Langley, D.B, Duff, A.P, Freeman, H.C, Guss, J.M, Juda, G.A, Dooley, D.M, Contakes, S.M, Halpern-Manners, N.W, Dunn, A.R, Gray, H.B.
Deposit date:2005-05-26
Release date:2005-09-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Reversible Inhibition of Copper Amine Oxidase Activity by Channel-Blocking Ruthenium(II) and Rhenium(I) Molecular Wires.
Proc.Natl.Acad.Sci.USA, 102, 2005
5VJQ
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BU of 5vjq by Molmil
Complex between HyHEL10 Fab fragment heavy chain mutant (I29F, S52T, Y53F) and Pekin duck egg lysozyme isoform I (DEL-I)
Descriptor: CHLORIDE ION, GLYCEROL, HyHEL10 heavy chain Fab fragment carrying three mutations; I29F, ...
Authors:Langley, D.B, Christ, D.
Deposit date:2017-04-19
Release date:2018-04-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Germinal center antibody mutation trajectories are determined by rapid self/foreign discrimination.
Science, 360, 2018
7MSQ
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BU of 7msq by Molmil
Complex between the Fab arm of AB-3467 and the SARS-CoV-2 receptor binding domain (RBD)
Descriptor: AB-3467 Fab Heavy Chain, AB-3467 Fab Light Chain, CHLORIDE ION, ...
Authors:Langley, D.B, Christ, D.
Deposit date:2021-05-12
Release date:2022-01-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Immunizations with diverse sarbecovirus receptor-binding domains elicit SARS-CoV-2 neutralizing antibodies against a conserved site of vulnerability.
Immunity, 54, 2021
7T72
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BU of 7t72 by Molmil
Epitope-based selection of SARS-CoV-2 neutralizing antibodies from convalescent patients
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody heavy chain, Antibody light chain, ...
Authors:Langley, D.B, Christ, D, Rouet, R.
Deposit date:2021-12-14
Release date:2022-12-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.177 Å)
Cite:Broadly neutralizing SARS-CoV-2 antibodies through epitope-based selection from convalescent patients.
Nat Commun, 14, 2023
2ZP2
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BU of 2zp2 by Molmil
C-terminal domain of KipI from Bacillus subtilis
Descriptor: Kinase A inhibitor
Authors:Langley, D.B, Jacques, D.A.
Deposit date:2008-06-24
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Histidine kinase regulation by a cyclophilin-like inhibitor
J.Mol.Biol., 384, 2008
7KZB
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BU of 7kzb by Molmil
Potent SARS-CoV-2 binding and neutralization through maturation of iconic SARS-CoV-1antibodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Fab heavy chain of CR3014-C8 antibody, ...
Authors:Langley, D.B, Christ, D.
Deposit date:2020-12-10
Release date:2021-02-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Potent SARS-CoV-2 binding and neutralization through maturation of iconic SARS-CoV-1 antibodies.
Mabs, 13
7KZC
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BU of 7kzc by Molmil
Potent SARS-CoV-2 binding and neutralization through maturation of iconic SARS-CoV-1antibodies
Descriptor: CHLORIDE ION, Fab heavy chain of m396-B10 antibody, Fab light chain of m396-B10 antibody
Authors:Langley, D.B, Christ, D.
Deposit date:2020-12-10
Release date:2021-02-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Potent SARS-CoV-2 binding and neutralization through maturation of iconic SARS-CoV-1 antibodies.
Mabs, 13
7KZA
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BU of 7kza by Molmil
Potent SARS-CoV-2 binding and neutralization through maturation of iconic SARS-CoV-1antibodies
Descriptor: CHLORIDE ION, Fab fragment heavy chain of anti-CoV2-RBD antibody variant CR3022-B6, Fab fragment light chain of anti-CoV2-RBD antibody variant CR3022-B6, ...
Authors:Langley, D.B, Christ, D.
Deposit date:2020-12-10
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Potent SARS-CoV-2 binding and neutralization through maturation of iconic SARS-CoV-1 antibodies.
Mabs, 13
4N1E
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BU of 4n1e by Molmil
Structural evidence for antigen receptor evolution
Descriptor: Lysozyme C, immunoglobulin variable light chain domain
Authors:Langley, D.B, Rouet, R, Stock, D, Christ, D.
Deposit date:2013-10-04
Release date:2014-10-29
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural reconstruction of protein ancestry.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4N1C
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BU of 4n1c by Molmil
Structural evidence for antigen receptor evolution
Descriptor: Lysozyme C, immunoglobulin variable light chain domain
Authors:Langley, D.B, Rouet, R, Roome, B, Stock, D, Christ, D.
Deposit date:2013-10-03
Release date:2014-10-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural reconstruction of protein ancestry.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8DXU
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BU of 8dxu by Molmil
Fab arms of antibodies GAR03 and 10G4 bound to the receptor binding domain of SARS-CoV-2 in a 1:1:1 complex.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Heavy chain of Fab arm of antibody 10G4, ...
Authors:Langley, D.B, Christ, D.
Deposit date:2022-08-03
Release date:2023-01-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.728 Å)
Cite:Broadly neutralizing SARS-CoV-2 antibodies through epitope-based selection from convalescent patients.
Nat Commun, 14, 2023
8DXT
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BU of 8dxt by Molmil
Fab arm of antibody GAR12 bound to the receptor binding domain of SARS-CoV-2.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab arm of antibody GAR12, Light chain of Fab arm of antibody GAR12, ...
Authors:Langley, D.B, Christ, D, Henry, J.Y.
Deposit date:2022-08-03
Release date:2023-01-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Broadly neutralizing SARS-CoV-2 antibodies through epitope-based selection from convalescent patients.
Nat Commun, 14, 2023
6DSI
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BU of 6dsi by Molmil
Anti recombinant prolactin receptor scFv
Descriptor: Anti-TN-C scFv
Authors:Langley, D.B, Rouet, R, Christ, D.
Deposit date:2018-06-14
Release date:2019-06-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Anti recombinant prolactin receptor scFv
To Be Published
6DN0
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BU of 6dn0 by Molmil
Retrofitted antibodies with stabilizing mutations: Herceptin scFv mutant with VH K30D and VL S52D.
Descriptor: FORMIC ACID, Human Variable Heavy Chain of Herceptin containing VH mutation K30D, Human Variable Light Chain of Herceptin containing VL mutation S52D
Authors:Langley, D.B, Roome, B, Christ, D.
Deposit date:2018-06-05
Release date:2019-06-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Retrofitting antibodies with stabilizing mutations
To Be Published
5V3B
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BU of 5v3b by Molmil
Human A20 OTU domain (WT) with acetamidylated C103
Descriptor: Tumor necrosis factor alpha-induced protein 3
Authors:Langley, D.B, Christ, D, Grey, S.
Deposit date:2017-03-07
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Denisovan, modern human and mouse TNFAIP3 alleles tune A20 phosphorylation and immunity.
Nat.Immunol., 20, 2019
5V3P
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BU of 5v3p by Molmil
Human A20 OTU domain (I325N) with acetamidylated C103
Descriptor: Tumor necrosis factor alpha-induced protein 3
Authors:Langley, D.B, Christ, D, Grey, S.
Deposit date:2017-03-07
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Denisovan, modern human and mouse TNFAIP3 alleles tune A20 phosphorylation and immunity.
Nat.Immunol., 20, 2019
6P4B
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BU of 6p4b by Molmil
HyHEL10 fab variant HyHEL10-4x (heavy chain mutations L4F, Y33H, S56N, and Y58F) bound to hen egg lysozyme variant HEL2x-flex (mutations R21Q, R73E, C76S, and C94S)
Descriptor: CHLORIDE ION, HyHEL10 Fab heavy chain, HyHEL10 Fab light chain, ...
Authors:Langley, D.B, Christ, D.
Deposit date:2019-05-27
Release date:2020-05-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational diversity facilitates antibody mutation trajectories and discrimination between foreign and self-antigens.
Proc.Natl.Acad.Sci.USA, 117, 2020
6P4C
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BU of 6p4c by Molmil
HyHEL10 Fab carrying four heavy chain mutations (HyHEL10-4x): L4F, Y33H, S56N, and Y58F
Descriptor: CHLORIDE ION, HyHEL10 Fab heavy chain, HyHEL10 Fab light chain
Authors:Langley, D.B, Christ, D.
Deposit date:2019-05-27
Release date:2020-05-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Conformational diversity facilitates antibody mutation trajectories and discrimination between foreign and self-antigens.
Proc.Natl.Acad.Sci.USA, 117, 2020
6P4D
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BU of 6p4d by Molmil
Hen egg lysozyme (HEL) containing three point mutations (HEL3x): R21Q, R73E, and D101R
Descriptor: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
Authors:Langley, D.B, Christ, D.
Deposit date:2019-05-27
Release date:2020-05-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Conformational diversity facilitates antibody mutation trajectories and discrimination between foreign and self-antigens.
Proc.Natl.Acad.Sci.USA, 117, 2020

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PDB entries from 2024-11-13

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