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2AJX
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BU of 2ajx by Molmil
Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with Transition State Analog
Descriptor: 3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER, Antibody 7A1 Fab'
Authors:Zhu, X, Wilson, I.A.
Deposit date:2005-08-02
Release date:2006-02-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Complete reaction cycle of a cocaine catalytic antibody at atomic resolution.
Structure, 14, 2006
7N4K
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BU of 7n4k by Molmil
6218 TCR in complex with H2-Db PA 224
Descriptor: Beta-2-microglobulin, Fusion protein of T cell receptor alpha variable 21-DV12 and T-cell receptor, sp3.4 alpha chain, ...
Authors:Szeto, C, Gras, S.
Deposit date:2021-06-04
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Covalent TCR-peptide-MHC interactions induce T cell activation and redirect T cell fate in the thymus.
Nat Commun, 13, 2022
1JGV
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BU of 1jgv by Molmil
STRUCTURAL BASIS FOR DISFAVORED ELIMINATION REACTION IN CATALYTIC ANTIBODY 1D4
Descriptor: Antibody Heavy Chain, Antibody Light Chain
Authors:Larsen, N.A, Heine, A, Crane, L, Cravatt, B.F, Lerner, R.A, Wilson, I.A.
Deposit date:2001-06-26
Release date:2001-12-05
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for a disfavored elimination reaction in catalytic antibody 1D4.
J.Mol.Biol., 314, 2001
3O3E
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BU of 3o3e by Molmil
Human Class I MHC HLA-A2 in complex with the Peptidomimetic ELA-2.1
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Borbulevych, O.Y, Baker, B.M.
Deposit date:2010-07-23
Release date:2010-12-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of HLA-A*0201 complexed with Melan-A/MART-1(26(27L)-35) peptidomimetics reveal conformational heterogeneity and highlight degeneracy of T cell recognition.
J.Med.Chem., 53, 2010
5WKZ
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BU of 5wkz by Molmil
VH1-69 germline antibody predicted from CR6261
Descriptor: Immunoglobulin heavy variable 1-69D,IgG H chain, Lambda-chain (AA -20 to 215), SULFATE ION
Authors:Lang, S, Lee, P.S.
Deposit date:2017-07-25
Release date:2018-08-01
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Anti-idiotypic antibody K1-18 engages VH1-69 precursor and affinity-matured, anti-stem antibodies through mimicry of the HA stem
To Be Published
3VFS
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BU of 3vfs by Molmil
crystal structure of HLA B*3508LPEP-P5Ala , peptide mutant P5-ala
Descriptor: Beta-2-microglobulin, LPEP peptide from EBV, P5A, ...
Authors:Liu, Y.C, Rossjohn, J, Gras, S.
Deposit date:2012-01-10
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Energetic Basis Underpinning T-cell Receptor Recognition of a Super-bulged Peptide Bound to a Major Histocompatibility Complex Class I Molecule.
J.Biol.Chem., 287, 2012
2Q86
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BU of 2q86 by Molmil
Structure of the mouse invariant NKT cell receptor Valpha14
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Valpha14 TCR, Vbeta8.2, ...
Authors:Zajonc, D.M.
Deposit date:2007-06-08
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structures of Mouse CD1d-iGb3 Complex and its Cognate Valpha14 T Cell Receptor Suggest a Model for Dual Recognition of Foreign and Self Glycolipids.
J.Mol.Biol., 377, 2008
3VFP
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BU of 3vfp by Molmil
crystal structure of HLA B*3508 LPEP158G, HLA mutant Gly158
Descriptor: ACETATE ION, Beta-2-microglobulin, LPEP peptide from EBV, ...
Authors:Liu, Y.C, Rossjohn, J, Gras, S.
Deposit date:2012-01-10
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Energetic Basis Underpinning T-cell Receptor Recognition of a Super-bulged Peptide Bound to a Major Histocompatibility Complex Class I Molecule.
J.Biol.Chem., 287, 2012
3BP4
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BU of 3bp4 by Molmil
The high resolution crystal structure of HLA-B*2705 in complex with a Cathepsin A signal sequence peptide pCatA
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Kumar, P, Vahedi-Faridi, A, Saenger, W, Uchanska-Ziegler, B, Ziegler, A.
Deposit date:2007-12-18
Release date:2008-12-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for T cell alloreactivity among three HLA-B14 and HLA-B27 antigens
J.Biol.Chem., 284, 2009
4PRA
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BU of 4pra by Molmil
Crystal structure of a HLA-B*35:01-HPVG-Q5
Descriptor: Beta-2-microglobulin, Epstein-Barr nuclear antigen 1, MHC class I antigen
Authors:Yu Chih, L, Rossjohn, J, Gras, S.
Deposit date:2014-03-05
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Molecular Basis for the Interplay between T Cells, Viral Mutants, and Human Leukocyte Antigen Micropolymorphism.
J.Biol.Chem., 289, 2014
2G60
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BU of 2g60 by Molmil
Structure of anti-FLAG M2 Fab domain
Descriptor: anti-FLAG M2 Fab heavy chain, anti-FLAG M2 Fab light chain
Authors:Roosild, T.P.
Deposit date:2006-02-23
Release date:2006-09-12
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of anti-FLAG M2 Fab domain and its use in the stabilization of engineered membrane proteins.
Acta Crystallogr.,Sect.F, 62, 2006
5FA3
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BU of 5fa3 by Molmil
Structure of HLA-A2:01 with peptide G9V
Descriptor: Beta-2-microglobulin, G9V, GLYCEROL, ...
Authors:Zajonc, D.M, Remesh, S.G.
Deposit date:2015-12-10
Release date:2016-12-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Unconventional Peptide Presentation by Major Histocompatibility Complex (MHC) Class I Allele HLA-A*02:01: BREAKING CONFINEMENT.
J. Biol. Chem., 292, 2017
1RUQ
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BU of 1ruq by Molmil
Crystal Structure (H) of u.v.-irradiated Diels-Alder antibody 13G5 Fab at pH 8.0 with a data set collected in house.
Descriptor: ZINC ION, immunoglobulin 13G5 heavy chain, immunoglobulin 13G5 light chain
Authors:Zhu, X, Wentworth Jr, P, Wentworth, A.D, Eschenmoser, A, Lerner, R.A, Wilson, I.A.
Deposit date:2003-12-11
Release date:2004-03-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Probing the antibody-catalyzed water-oxidation pathway at atomic resolution.
Proc.Natl.Acad.Sci.USA, 110, 2004
5J1A
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BU of 5j1a by Molmil
Antigen presenting molecule
Descriptor: 3-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol, Beta-2-microglobulin, T-cell surface glycoprotein CD1a
Authors:Yongqing, T, Rossjohn, J, Le Nours, J, Marquez, E, Winau, F.
Deposit date:2016-03-29
Release date:2016-08-03
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:CD1a on Langerhans cells controls inflammatory skin disease.
Nat. Immunol., 17, 2016
3B3I
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BU of 3b3i by Molmil
Citrullination-dependent differential presentation of a self-peptide by HLA-B27 subtypes
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Beltrami, A, Rossmann, M, Fiorillo, M.T, Paladini, F, Sorrentino, R, Saenger, W, Kumar, P, Ziegler, A, Uchanska-Ziegler, B.
Deposit date:2007-10-22
Release date:2008-07-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Citrullination-dependent differential presentation of a self-peptide by HLA-B27 subtypes.
J.Biol.Chem., 283, 2008
4NUG
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BU of 4nug by Molmil
Crystal structure of HIV-1 broadly neutralizing antibody PGT151
Descriptor: HEXAETHYLENE GLYCOL, PGT151 heavy chain, PGT151 light chain
Authors:Blattner, C, Wilson, I.A.
Deposit date:2013-12-03
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8617 Å)
Cite:Structural Delineation of a Quaternary, Cleavage-Dependent Epitope at the gp41-gp120 Interface on Intact HIV-1 Env Trimers.
Immunity, 40, 2014
3BXN
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BU of 3bxn by Molmil
The high resolution crystal structure of HLA-B*1402 complexed with a Cathepsin A signal sequence peptide, pCatA
Descriptor: Cathepsin A signal sequence octapeptide, GLYCEROL, HLA-B*1402 extracellular domain, ...
Authors:Kumar, P, Vahedi-Faridi, A, Saenger, W, Uchanska-Ziegler, B, Ziegler, A.
Deposit date:2008-01-14
Release date:2009-02-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.864 Å)
Cite:Structural basis for T cell alloreactivity among three HLA-B14 and HLA-B27 antigens
J.Biol.Chem., 284, 2009
8QH0
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BU of 8qh0 by Molmil
Crystal structure of the SARS-CoV-2 RBD with the antibody Cv2.3194
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cv2.3194 Heavy chain, GLYCEROL, ...
Authors:Fernandez, I, Rey, F.A.
Deposit date:2023-09-06
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:A broadly neutralizing antibody against SARS-CoV-2 Omicron variants
To Be Published
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
3C9N
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BU of 3c9n by Molmil
Crystal Structure of a SARS Corona Virus Derived Peptide Bound to the Human Major Histocompatibility Complex Class I molecule HLA-B*1501
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Roder, G.A, Kristensen, O, Kastrup, J.S, Buus, S, Gajhede, M.
Deposit date:2008-02-18
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure of a SARS coronavirus-derived peptide bound to the human major histocompatibility complex class I molecule HLA-B*1501.
ACTA CRYSTALLOGR.,SECT.F, 64, 2008
6LAH
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BU of 6lah by Molmil
Crystal structure of rhesus macaque MHC class I molecule Mamu-B*098 complexed with lysophosphatidylcholine
Descriptor: (2R)-2,3-dihydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ...
Authors:Shima, Y, Morita, D.
Deposit date:2019-11-12
Release date:2020-04-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structures of lysophospholipid-bound MHC class I molecules.
J.Biol.Chem., 295, 2020
3MRJ
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BU of 3mrj by Molmil
Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide V5M variant
Descriptor: 9-meric peptide from Serine protease/NTPase/helicase NS3, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Reiser, J.-B, Le Gorrec, M, Chouquet, A, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D.
Deposit date:2010-04-29
Release date:2011-05-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide V5M variant
To be Published
5D9S
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BU of 5d9s by Molmil
Structure of HLA-A2:01 with the 11-mer peptide F11V
Descriptor: 11-mer peptide F11V, Beta-2-microglobulin, GLYCEROL, ...
Authors:Remesh, S.G, Zajonc, D.M.
Deposit date:2015-08-19
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Toxoplasma gondii peptide ligands open the gate of the HLA class I binding groove.
Elife, 5, 2016
6UQC
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BU of 6uqc by Molmil
Mouse IgG2a Bispecific Fc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[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, ...
Authors:Wang, F, Tsai, J.C, Davis, J.H, West, S.M, Strop, P.
Deposit date:2019-10-18
Release date:2020-01-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Design and characterization of mouse IgG1 and IgG2a bispecific antibodies for use in syngeneic models.
Mabs, 12, 2019
7N5C
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BU of 7n5c by Molmil
6218 TCR in complex with H2Db PA with an engineered TCR-pMHC disulfide bond
Descriptor: Beta-2-microglobulin, Fusion protein of T cell receptor alpha variable 21-DV12 with T-cell receptor, sp3.4 alpha chain, ...
Authors:Szeto, C, Gras, S.
Deposit date:2021-06-05
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Covalent TCR-peptide-MHC interactions induce T cell activation and redirect T cell fate in the thymus.
Nat Commun, 13, 2022

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