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8BOE
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BU of 8boe by Molmil
Human Carbonic Anhydrase I in complex with (S)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide
Descriptor: 1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-11-15
Release date:2023-11-29
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:First-in-Class Dual Hybrid Carbonic Anhydrase Inhibitors and Transient Receptor Potential Vanilloid 1 Agonists Revert Oxaliplatin-Induced Neuropathy.
J.Med.Chem., 66, 2023
4DN3
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BU of 4dn3 by Molmil
Crystal structure of anti-mcp-1 antibody cnto888
Descriptor: CNTO888 HEAVY CHAIN, CNTO888 LIGHT CHAIN
Authors:Obmolova, G, Teplyakov, A, Malia, T, Grygiel, T, Sweet, R, Snyder, L, Gilliland, G.
Deposit date:2012-02-08
Release date:2012-10-03
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for high selectivity of anti-CCL2 neutralizing antibody CNTO 888.
Mol.Immunol., 51, 2012
6XS6
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BU of 6xs6 by Molmil
SARS-CoV-2 Spike D614G variant, minus RBD
Descriptor: Spike glycoprotein
Authors:Wang, X, Egri, S.B, Dudkina, N, Luban, J, Shen, K.
Deposit date:2020-07-15
Release date:2020-07-22
Last modified:2020-11-11
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural and Functional Analysis of the D614G SARS-CoV-2 Spike Protein Variant.
Cell, 183, 2020
6YM0
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BU of 6ym0 by Molmil
Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab (crystal form 1)
Descriptor: Spike glycoprotein, heavy chain, light chain
Authors:Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I.
Deposit date:2020-04-07
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4.36 Å)
Cite:Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
4DN4
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BU of 4dn4 by Molmil
Crystal structure of the complex between cnto888 fab and mcp-1 mutant p8a
Descriptor: ACETATE ION, C-C motif chemokine 2, CNTO888 HEAVY CHAIN, ...
Authors:Obmolova, G, Teplyakov, A, Malia, T, Grygiel, T, Sweet, R, Snyder, L, Gilliland, G.
Deposit date:2012-02-08
Release date:2012-10-03
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for high selectivity of anti-CCL2 neutralizing antibody CNTO 888.
Mol.Immunol., 51, 2012
7T86
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BU of 7t86 by Molmil
Crystal Structure of Fab CR5133 / Phospho-SD Peptide Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab CR5133 Heavy Chain, Antibody Fab CR5133 Light Chain, ...
Authors:Luo, J, Malia, T.J, Buckley, P.T.
Deposit date:2021-12-15
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Multivalent human antibody-centyrin fusion protein to prevent and treat Staphylococcus aureus infections.
Cell Host Microbe, 31, 2023
7T82
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BU of 7t82 by Molmil
Crystal Structure of LEUKOCIDIN E/CENTYRIN S26/FAB B438
Descriptor: Antibody Fab Heavy Chain, Antibody Fab Light Chain, Centyrin S26, ...
Authors:Luo, J, Malia, T.J, Buckley, P.T.
Deposit date:2021-12-15
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Multivalent human antibody-centyrin fusion protein to prevent and treat Staphylococcus aureus infections.
Cell Host Microbe, 31, 2023
7T87
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BU of 7t87 by Molmil
CRYSTAL STRUCTURE OF LEUKOCIDIN AB/CENTYRIN S17/FAB 214F COMPLEX
Descriptor: Antibody Fab B214 Heavy Chain, Antibody Fab B214 Light Chain, Centyrin S17, ...
Authors:Luo, J, Malia, T.J, Buckley, P.T.
Deposit date:2021-12-15
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Multivalent human antibody-centyrin fusion protein to prevent and treat Staphylococcus aureus infections.
Cell Host Microbe, 31, 2023
6YLA
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BU of 6yla by Molmil
Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I.
Deposit date:2020-04-06
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
6XTZ
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BU of 6xtz by Molmil
Structure of Dally-like protein in complex with O-palmitoleoyl serine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dally-like, ...
Authors:Vecchia, L, Jones, E.Y.
Deposit date:2020-01-16
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Glypicans shield the Wnt lipid moiety to enable signalling at a distance.
Nature, 585, 2020
4HAF
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BU of 4haf by Molmil
Crystal structure of fc-fragment of human IgG2 antibody (primitive crystal form)
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, Ig gamma-2 chain C region
Authors:Teplyakov, A, Malia, T, Obmolova, G, Zhao, Y, Gilliland, G.
Deposit date:2012-09-26
Release date:2013-06-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:IgG2 Fc structure and the dynamic features of the IgG CH2-CH3 interface.
Mol.Immunol., 56, 2013
4L4J
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BU of 4l4j by Molmil
Crystal structure of fc-fragment of human IgG2-Sigma antibody
Descriptor: 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, 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)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Teplyakov, A, Malia, T, Gillilang, G.
Deposit date:2013-06-07
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:An engineered Fc variant of an IgG eliminates all immune effector functions via structural perturbations.
Methods, 65, 2014
4HAG
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BU of 4hag by Molmil
Crystal structure of fc-fragment of human IgG2 antibody (centered crystal form)
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)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-2 chain C region
Authors:Teplyakov, A, Malia, T, Obmolova, G, Zhao, Y, Gilliland, G.
Deposit date:2012-09-26
Release date:2013-06-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:IgG2 Fc structure and the dynamic features of the IgG CH2-CH3 interface.
Mol.Immunol., 56, 2013
3O11
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BU of 3o11 by Molmil
Anti-beta-amyloid antibody c706 fab in space group c2
Descriptor: C706 HEAVY CHAIN variable region, Ig gamma-1 chain C region chimera, C706 LIGHT CHAIN variable region, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2010-07-20
Release date:2010-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:His-tag binding by antibody C706 mimics beta-amyloid recognition.
J.Mol.Recognit., 24, 2011
7JKB
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BU of 7jkb by Molmil
2xVH Fab
Descriptor: Anti-Her2, Anti-lysozyme
Authors:Lord, D.M, Zhou, Y.F.
Deposit date:2020-07-28
Release date:2020-11-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Bringing the Heavy Chain to Light: Creating a Symmetric, Bivalent IgG-Like Bispecific.
Antibodies, 9, 2020
2FGW
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BU of 2fgw by Molmil
X-RAY STRUCTURES OF FRAGMENTS FROM BINDING AND NONBINDING VERSIONS OF A HUMANIZED ANTI-CD18 ANTIBODY: STRUCTURAL INDICATIONS OF THE KEY ROLE OF VH RESIDUES 59 TO 65
Descriptor: H52 FAB (HEAVY CHAIN), H52 FAB (LIGHT CHAIN)
Authors:Eigenbrot, C, Kessler, J.
Deposit date:1994-01-16
Release date:1994-04-30
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray structures of fragments from binding and nonbinding versions of a humanized anti-CD18 antibody: structural indications of the key role of VH residues 59 to 65.
Proteins, 18, 1994
7JGU
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BU of 7jgu by Molmil
Structure of FN3tt mut
Descriptor: Fibronectin type-III domain-containing protein, PENTAETHYLENE GLYCOL
Authors:Luo, J, Boucher, L.E.
Deposit date:2020-07-19
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Surface salt bridges contribute to the extreme thermal stability of an FN3-like domain from a thermophilic bacterium.
Proteins, 90, 2022
7UXO
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BU of 7uxo by Molmil
Structure of PDL1 in complex with FP30790, a Helicon Polypeptide
Descriptor: AMINO GROUP, FP30790, N,N'-(1,4-phenylene)diacetamide, ...
Authors:Li, K, Agarwal, S, Tokareva, O, Thomson, T, Travaline, T, Tattersfield, H, Wahl, S, Verdine, G, McGee, J.
Deposit date:2022-05-05
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
7UXQ
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BU of 7uxq by Molmil
Structure of PDL1 in complex with FP28135, a Helicon Polypeptide
Descriptor: 1,2-ETHANEDIOL, FP28135, N,N'-(1,4-phenylene)diacetamide, ...
Authors:Li, K, Agarwal, S, Tokareva, O, Thomson, T, Travaline, T, Wahl, S, Verdine, G, McGee, J.
Deposit date:2022-05-05
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
7UXP
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BU of 7uxp by Molmil
Structure of PDL1 in complex with FP28132, a Helicon Polypeptide
Descriptor: AMINO GROUP, FP28132, N,N'-(1,4-phenylene)diacetamide, ...
Authors:Li, K, Agarwal, S, Tokareva, O, Thomson, T, Travaline, T, Tattersfield, H, Wahl, S, Verdine, G, McGee, J.
Deposit date:2022-05-05
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
7UX5
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BU of 7ux5 by Molmil
Structure of PDL1 in complex with FP28136, a Helicon Polypeptide
Descriptor: Helicon FP28136, N,N'-(1,4-phenylene)diacetamide, Programmed cell death 1 ligand 1
Authors:Agarwal, S, Li, K, Tokareva, O, Thomson, T, Travaline, T, Wahl, S, Verdine, G, McGee, J.
Deposit date:2022-05-05
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
5TLJ
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BU of 5tlj by Molmil
COMPLEX BETWEEN HUMAN CD27 AND FAB FRAGMENTS OF ANTIBODIES M2177 AND M2191
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD27 antigen, M2177 HEAVY CHAIN, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2016-10-11
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Epitope-dependent mechanisms of CD27 neutralization revealed by X-ray crystallography.
Mol. Immunol., 83, 2017
5TLK
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BU of 5tlk by Molmil
COMPLEX BETWEEN HUMAN CD27 AND FAB FRAGMENTS OF ANTIBODIES M2177 AND H2191
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD27 antigen, H2191 HEAVY CHAIN, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2016-10-11
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Epitope-dependent mechanisms of CD27 neutralization revealed by X-ray crystallography.
Mol. Immunol., 83, 2017
4KMT
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BU of 4kmt by Molmil
Crystal structure of human germline antibody 5-51/O12
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, SULFATE ION, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2013-05-08
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Antibody modeling assessment II. Structures and models.
Proteins, 82, 2014
4KQ4
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BU of 4kq4 by Molmil
Crystal structure of Anti-IL-17A antibody CNTO7357
Descriptor: CNTO7357 heavy chain, CNTO7357 light chain, NICKEL (II) ION
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2013-05-14
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Antibody modeling assessment II. Structures and models.
Proteins, 82, 2014

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