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6QBS
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BU of 6qbs by Molmil
The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K
Descriptor: (2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide, CALCIUM ION, CHLORIDE ION, ...
Authors:Mons, E, Jansen, I.D.C, Loboda, J, van Doodewaerd, B.R, Verdoes, M, van Boeckel, C.A.A, van Veelen, P.A, Turk, B, Turk, D, Hermans, J, Ovaa, H.
Deposit date:2018-12-21
Release date:2019-02-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K.
J. Am. Chem. Soc., 141, 2019
7ZL1
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BU of 7zl1 by Molmil
PTX3 Pentraxin Domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Pentraxin-related protein PTX3
Authors:Noone, D.P, Sharp, T.H.
Deposit date:2022-04-13
Release date:2022-08-03
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:PTX3 structure determination using a hybrid cryoelectron microscopy and AlphaFold approach offers insights into ligand binding and complement activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7T6I
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BU of 7t6i by Molmil
Crystal structure of HLA-DP1 in complex with pp65 peptide in reverse orientation
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ...
Authors:Lim, J.J, Reid, H, Rossjohn, J.
Deposit date:2021-12-13
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Human T cells recognize HLA-DP-bound peptides in two orientations.
Proc.Natl.Acad.Sci.USA, 119, 2022
7T5M
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BU of 7t5m by Molmil
Structure of HLA-A*02:01-FLPTPEELGLLGPPRPQVLA complex
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-2-microglobulin, Interleukin-27 receptor subunit alpha, ...
Authors:Gras, S.
Deposit date:2021-12-12
Release date:2022-12-14
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Cutting Edge: Unconventional CD8 + T Cell Recognition of a Naturally Occurring HLA-A*02:01-Restricted 20mer Epitope.
J Immunol., 208, 2022
8CMS
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BU of 8cms by Molmil
OTUB2 in covalent complex with LN5P45
Descriptor: (1~{S},2~{S})-~{N}'-ethanoyl-2-(3-methylphenyl)cyclopropane-1-carbohydrazide, Ubiquitin thioesterase OTUB2
Authors:Gan, J, de Vries, J.
Deposit date:2023-02-21
Release date:2023-11-15
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Cellular Validation of a Chemically Improved Inhibitor Identifies Monoubiquitination on OTUB2.
Acs Chem.Biol., 18, 2023
8BTB
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BU of 8btb by Molmil
Hexameric human IgG3 Fc complex
Descriptor: FLJ00385 protein (Fragment)
Authors:Abendstein, L, Sharp, T.H.
Deposit date:2022-11-28
Release date:2023-06-21
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (14 Å)
Cite:Complement is activated by elevated IgG3 hexameric platforms and deposits C4b onto distinct antibody domains.
Nat Commun, 14, 2023
6FPC
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BU of 6fpc by Molmil
Structure of the PRO-PRO endopeptidase (PPEP-2) from Paenibacillus alvei
Descriptor: CADMIUM ION, PRO-PRO endopeptidase, SULFATE ION, ...
Authors:Weeks, S.D, Klychnikov, O.I, Hensbergen, P.J, Strelkov, S.V.
Deposit date:2018-02-09
Release date:2018-05-30
Last modified:2018-07-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of a new Pro-Pro endopeptidase, PPEP-2, provides mechanistic insights into the differences in substrate specificity within the PPEP family.
J. Biol. Chem., 293, 2018
4U6Y
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BU of 4u6y by Molmil
Crystal Structure of HLA-A*0201 in complex with FLNDK, a 15 mer self-peptide
Descriptor: Beta-2-microglobulin, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Gras, S, Chabrol, E, Rossjohn, J.
Deposit date:2014-07-30
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.467 Å)
Cite:Naturally Processed Non-canonical HLA-A*02:01 Presented Peptides.
J.Biol.Chem., 290, 2015
4U6X
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BU of 4u6x by Molmil
Crystal Structure of HLA-A*0201 in complex with ALQDA, a 15 mer self-peptide
Descriptor: ALQDA peptide, ALQDAGDSSRKEYFI, Beta-2-microglobulin, ...
Authors:Gras, S, Chabrol, E, Rossjohn, J.
Deposit date:2014-07-30
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Naturally Processed Non-canonical HLA-A*02:01 Presented Peptides.
J.Biol.Chem., 290, 2015
4PGC
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BU of 4pgc by Molmil
MHC Class I in complex with modified Sendai virus nucleoprotein peptide FAPGN(3,5-diiodotyrosine)PAL
Descriptor: Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ...
Authors:Celie, P, Joosten, R.P, Perrakis, A, Neefjes, J.
Deposit date:2014-05-01
Release date:2015-01-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The first step of peptide selection in antigen presentation by MHC class I molecules.
Proc.Natl.Acad.Sci.USA, 112, 2015
4PG9
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BU of 4pg9 by Molmil
MHC Class I in complex with Sendai virus nucleoprotein peptide FAPGNYPAL
Descriptor: Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ...
Authors:Celie, P, Joosten, R.P, Perrakis, A, Neefjes, J.
Deposit date:2014-05-01
Release date:2015-01-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The first step of peptide selection in antigen presentation by MHC class I molecules.
Proc.Natl.Acad.Sci.USA, 112, 2015
4PGE
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BU of 4pge by Molmil
MHC Class I in complex with modified Sendai virus nucleoprotein peptide FAPGNYPAW
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
Authors:Celie, P, Joosten, R.P, Perrakis, A, Neefjes, J.
Deposit date:2014-05-01
Release date:2015-01-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:The first step of peptide selection in antigen presentation by MHC class I molecules.
Proc.Natl.Acad.Sci.USA, 112, 2015
4PGD
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BU of 4pgd by Molmil
MHC Class I in complex with modified Sendai virus nucleoprotein peptide FAPGNYPAF
Descriptor: Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ...
Authors:Celie, P, Joosten, R.P, Perrakis, A, Neefjes, J.
Deposit date:2014-05-01
Release date:2015-01-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The first step of peptide selection in antigen presentation by MHC class I molecules.
Proc.Natl.Acad.Sci.USA, 112, 2015
4PGB
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BU of 4pgb by Molmil
MHC Class I in complex with modified Sendai virus nucleoprotein peptide FAPGNWPAL
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ...
Authors:Celie, P.H.N, Joosten, R.P, Perrakis, A, Neefjes, J.
Deposit date:2014-05-01
Release date:2015-01-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The first step of peptide selection in antigen presentation by MHC class I molecules.
Proc.Natl.Acad.Sci.USA, 112, 2015

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