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5TRU
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BU of 5tru by Molmil
Structure of the first-in-class checkpoint inhibitor Ipilimumab bound to human CTLA-4
Descriptor: Cytotoxic T-lymphocyte protein 4, Ipilimumab Fab heavy chain, Ipilimumab Fab light chain
Authors:Ramagopal, U.A, Liu, W, Garrett-Thomson, S.C, Yan, Q, Srinivasan, M, Wong, S.C, Bell, A, Mankikar, S, Rangan, V.S, Deshpande, S, Bonanno, J.B, Korman, A.J, Almo, S.C.
Deposit date:2016-10-27
Release date:2017-05-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for cancer immunotherapy by the first-in-class checkpoint inhibitor ipilimumab.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7S7I
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BU of 7s7i by Molmil
Crystal structure of Fab in complex with MICA alpha3 domain
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, ...
Authors:Lee, P.S, Strop, P.
Deposit date:2021-09-16
Release date:2022-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Residue-Level Characterization of Antibody Binding Epitopes Using Carbene Chemical Footprinting.
Anal.Chem., 95, 2023
6V2O
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BU of 6v2o by Molmil
HLA-B*57:01 presenting the peptide ASLNLPAVSW
Descriptor: ACETATE ION, Beta-2-microglobulin, MHC class I antigen, ...
Authors:Maclachlan, B, Rossjohn, J, Vivian, J.P.
Deposit date:2019-11-25
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function.
Proc.Natl.Acad.Sci.USA, 117, 2020
6V2Q
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BU of 6v2q by Molmil
HLA-B*57:03 presenting the peptide LSSPVTKSF
Descriptor: ACETATE ION, Beta-2-microglobulin, HLA-B alpha chain (B*5703GB), ...
Authors:Maclachlan, B, Rossjohn, J, Vivian, J.P.
Deposit date:2019-11-25
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function.
Proc.Natl.Acad.Sci.USA, 117, 2020
6V3J
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BU of 6v3j by Molmil
KIR3DL1 in complex with HLA-B*57:03 presenting the peptide LSSPVTKSF
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, HLA-B alpha chain (B*5703GB), ...
Authors:Maclachlan, B, Rossjohn, J, Vivian, J.P.
Deposit date:2019-11-25
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function.
Proc.Natl.Acad.Sci.USA, 117, 2020
6V2P
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BU of 6v2p by Molmil
HLA-B*57:03 presenting the peptide ASLNLPAVSW
Descriptor: ACETATE ION, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Maclachlan, B, Rossjohn, J, Vivian, J.P.
Deposit date:2019-11-25
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function.
Proc.Natl.Acad.Sci.USA, 117, 2020
7K80
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BU of 7k80 by Molmil
KIR3DL1*001 in complex with HLA-A*24:02 presenting the RYPLTFGW peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP, ...
Authors:MacLachlan, B.J, Rossjohn, J, Vivian, J.P.
Deposit date:2020-09-24
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Role of the HLA Class I alpha 2 Helix in Determining Ligand Hierarchy for the Killer Cell Ig-like Receptor 3DL1.
J Immunol., 206, 2021
7K81
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BU of 7k81 by Molmil
KIR3DL1*005 in complex with HLA-A*24:02 presenting the RYPLTFGW peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP, Beta-2-microglobulin, ...
Authors:MacLachlan, B.J, Rossjohn, J, Vivian, J.P.
Deposit date:2020-09-24
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Role of the HLA Class I alpha 2 Helix in Determining Ligand Hierarchy for the Killer Cell Ig-like Receptor 3DL1.
J Immunol., 206, 2021
3EWJ
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BU of 3ewj by Molmil
Crystal structure of catalytic domain of TACE with carboxylate inhibitor
Descriptor: (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid, ADAM 17, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
Authors:Orth, P.
Deposit date:2008-10-15
Release date:2008-11-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of novel spirocyclopropyl hydroxamate and carboxylate compounds as TACE inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009

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