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7S4G
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BU of 7s4g by Molmil
Fab fragment bound to the Cter peptide of Ly6G6D
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Lymphocyte antigen 6 complex locus protein G6d, ...
Authors:Rouge, L, Lupardus, P.
Deposit date:2021-09-08
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel Anti-LY6G6D/CD3 T-Cell-Dependent Bispecific Antibody for the Treatment of Colorectal Cancer.
Mol.Cancer Ther., 21, 2022
3QB7
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BU of 3qb7 by Molmil
Interleukin-4 mutant RGA bound to cytokine receptor common gamma
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit gamma, ...
Authors:Bates, D.L, Junttila, I.S, Creusot, R.J, Moraga, I, Lupardus, P, Fathman, C.G, Paul, W.E, Garcia, K.C.
Deposit date:2011-01-12
Release date:2012-04-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.245 Å)
Cite:Redirecting cell-type specific cytokine responses with engineered interleukin-4 superkines.
Nat.Chem.Biol., 8, 2012
6XM2
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BU of 6xm2 by Molmil
The structure of the 4A11.v7 antibody in complex with human TGFb2
Descriptor: 4A11.v7 heavy chain Fab (VH-CH1) IgG1 humanized, 4A11.v7 kappa light chain Fab (VL-CL) humanized, Transforming growth factor beta-2
Authors:Lupardus, P.J, Yin, J.P.
Deposit date:2020-06-29
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:TGF beta 2 and TGF beta 3 isoforms drive fibrotic disease pathogenesis.
Sci Transl Med, 13, 2021
8V52
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BU of 8v52 by Molmil
Crystal structure of 2A10 Fab bound to Human TGF-beta3
Descriptor: 2A10 Fab Heavy Chain, 2A10 Fab Light chain, Transforming growth factor beta-3
Authors:Yin, J, Lupardus, P.J.
Deposit date:2023-11-30
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Isoform-selective TGF-beta 3 inhibition for systemic sclerosis.
Med, 5, 2024
7RCO
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BU of 7rco by Molmil
Crystal structure of human TGF-beta-2 bound to 4A11.V2 Fab
Descriptor: 4A11.V2 Fab Heavy Chain, 4A11.V2 Fab Light Chain, Transforming growth factor beta-2
Authors:Yin, J, Lupardus, P.J, Sudhamsu, J.
Deposit date:2021-07-07
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Dramatic activation of an antibody by a single amino acid change in framework.
Sci Rep, 11, 2021
5D6C
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BU of 5d6c by Molmil
Structure of 4497 Fab bound to synthetic wall teichoic acid fragment
Descriptor: 4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol, 4497 antibody IgG1 (VH and CH1), 4497 antibody IgK (VL and CL), ...
Authors:Lupardus, P.J, Fong, R.
Deposit date:2015-08-12
Release date:2015-11-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Novel antibody-antibiotic conjugate eliminates intracellular S. aureus.
Nature, 527, 2015
6NYH
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BU of 6nyh by Molmil
Structure of human RIPK1 kinase domain in complex with GNE684
Descriptor: (5S)-N-[(3S)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1
Authors:Fong, R, Lupardus, P.J.
Deposit date:2019-02-11
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:RIP1 inhibition blocks inflammatory diseases but not tumor growth or metastases.
Cell Death Differ., 27, 2020
6N77
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BU of 6n77 by Molmil
Structure of the human JAK1 kinase domain with compound 15
Descriptor: GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
Authors:Lupardus, P.J, Brown, D.
Deposit date:2018-11-27
Release date:2019-04-24
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N7D
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BU of 6n7d by Molmil
Structure of the human JAK1 kinase domain with compound 54
Descriptor: GLYCEROL, N-[5-(6-methoxy-1H-indazol-5-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
Authors:Lupardus, P.J, Brown, D.
Deposit date:2018-11-27
Release date:2019-04-24
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N7B
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BU of 6n7b by Molmil
Structure of the human JAK1 kinase domain with compound 38
Descriptor: GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK1
Authors:Lupardus, P.J, Brown, D.
Deposit date:2018-11-27
Release date:2019-04-24
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N79
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BU of 6n79 by Molmil
Structure of the human JAK1 kinase domain with compound 20
Descriptor: GLYCEROL, N-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
Authors:Lupardus, P.J, Brown, D.
Deposit date:2018-11-27
Release date:2019-04-24
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N7C
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BU of 6n7c by Molmil
Structure of the human JAK1 kinase domain with compound 56
Descriptor: GLYCEROL, N-[5-(3-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
Authors:Lupardus, P.J, Brown, D.
Deposit date:2018-11-27
Release date:2019-04-24
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N78
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BU of 6n78 by Molmil
Structure of the human JAK1 kinase domain with compound 21
Descriptor: GLYCEROL, N-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
Authors:Lupardus, P.J, Brown, D.
Deposit date:2018-11-27
Release date:2019-04-24
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N7A
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BU of 6n7a by Molmil
Structure of the human JAK1 kinase domain with compound 39
Descriptor: GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-2-methyl-2H-pyrazolo[4,3-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK1
Authors:Lupardus, P.J, Brown, D.
Deposit date:2018-11-27
Release date:2019-04-24
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
4KVN
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BU of 4kvn by Molmil
Crystal structure of Fab 39.29 in complex with Influenza Hemagglutinin A/Perth/16/2009 (H3N2)
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:Fong, R, Swem, L.R, Lupardus, P.J.
Deposit date:2013-05-22
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A Novel In vivo Human Plasmablast Enrichment Technique Allows Rapid Identification of Therapeutic Anti-Influenza A Antibodies
Cell Host Microbe, 14, 2013
6TRO
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BU of 6tro by Molmil
Crystal structure of the T-cell receptor GVY01 bound to HLA A2*01-GVYDGREHTV
Descriptor: Beta-2-microglobulin, MAGE-A4 peptide (amino acids 230-239), MHC class I antigen, ...
Authors:Coles, C.H, McMurran, C, Lloyd, A, Hibbert, L, Lupardus, P.J, Cole, D.K, Harper, S.
Deposit date:2019-12-19
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:T cell receptor interactions with human leukocyte antigen govern indirect peptide selectivity for the cancer testis antigen MAGE-A4.
J.Biol.Chem., 295, 2020
6TRN
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BU of 6trn by Molmil
Crystal structure of HLA A2*01-AVYDGREHTV
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, MAGE-A4 peptide (amino acids 230-239) variant, ...
Authors:Coles, C.H, McMurran, C, Lloyd, A, Hibbert, L, Lupardus, P.J, Cole, D.K, Harper, S.
Deposit date:2019-12-19
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:T cell receptor interactions with human leukocyte antigen govern indirect peptide selectivity for the cancer testis antigen MAGE-A4.
J.Biol.Chem., 295, 2020

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