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7C34
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BU of 7c34 by Molmil
Crystal structure of Serratia marcescens Chitinase B complexed with Berberine
Descriptor: BERBERINE, Chitinase
Authors:Chen, L, Chen, J, Yang, Q.
Deposit date:2020-05-11
Release date:2020-05-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.938 Å)
Cite:Crystal structure-guided design of berberine-based novel chitinase inhibitors.
J Enzyme Inhib Med Chem, 35, 2020
3RIY
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BU of 3riy by Molmil
Sirt5 is an NAD-dependent protein lysine demalonylase and desuccinylase
Descriptor: NAD-dependent deacetylase sirtuin-5, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION, ...
Authors:Zhou, Y, Hao, Q.
Deposit date:2011-04-14
Release date:2011-11-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Sirt5 is a NAD-dependent protein lysine demalonylase and desuccinylase
Science, 334, 2011
3TFK
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BU of 3tfk by Molmil
42F3-p4B10/H2-Ld
Descriptor: 42F3 alpha, 42F3 beta, H2-Ld SBM2, ...
Authors:Adams, J.J, Kranz, D.M, Garcia, K.C.
Deposit date:2011-08-15
Release date:2011-12-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.753 Å)
Cite:T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex.
Immunity, 35, 2011
3TF7
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BU of 3tf7 by Molmil
42F3 QL9/H2-Ld complex
Descriptor: 42F3 Mut7 scFv (42F3 alpha chain, linker, 42F3 beta chain), ...
Authors:Adams, J.J, Kranz, D.M, Garcia, K.C.
Deposit date:2011-08-15
Release date:2011-12-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex.
Immunity, 35, 2011
3RIG
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BU of 3rig by Molmil
Sirt5 is an NAD-dependent protein lysine demalonylase and desuccinylase
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, NAD-dependent deacetylase sirtuin-5, ZINC ION, ...
Authors:Zhou, Y.
Deposit date:2011-04-13
Release date:2011-11-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Sirt5 is a NAD-dependent protein lysine demalonylase and desuccinylase
Science, 334, 2011
3TJH
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BU of 3tjh by Molmil
42F3-p3A1/H2-Ld complex
Descriptor: 42F3 alpha, 42F3 beta, H2-Ld SBM2, ...
Authors:Adams, J.J, Kruse, A, Kranz, D.M, Garcia, K.C.
Deposit date:2011-08-24
Release date:2011-12-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex.
Immunity, 35, 2011
3TPU
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BU of 3tpu by Molmil
42F3 p5E8/H2-Ld complex
Descriptor: 1,2-ETHANEDIOL, 42F3 alpha, 42F3 beta, ...
Authors:Adams, J.J, Kranz, D.M, Garcia, K.C.
Deposit date:2011-09-08
Release date:2011-12-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex.
Immunity, 35, 2011
6A5M
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BU of 6a5m by Molmil
Crystal structure of Arabidopsis thaliana SUVH6 in complex with SAM, form 2
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-9 specific SUVH6, S-ADENOSYLMETHIONINE, ...
Authors:Li, X, Du, J.
Deposit date:2018-06-24
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Mechanistic insights into plant SUVH family H3K9 methyltransferases and their binding to context-biased non-CG DNA methylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6A5N
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BU of 6a5n by Molmil
Crystal structure of Arabidopsis thaliana SUVH6 in complex with methylated DNA
Descriptor: DNA (5'-D(*CP*AP*CP*TP*GP*CP*TP*GP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*GP*AP*GP*TP*AP*CP*TP*(5CM)P*AP*GP*CP*AP*GP*T)-3'), Histone-lysine N-methyltransferase, ...
Authors:Li, X, Du, J.
Deposit date:2018-06-24
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanistic insights into plant SUVH family H3K9 methyltransferases and their binding to context-biased non-CG DNA methylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6A5K
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BU of 6a5k by Molmil
Crystal structure of Arabidopsis thaliana SUVH6 in complex with SAM, form 1
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-9 specific SUVH6, S-ADENOSYLMETHIONINE, ...
Authors:Li, X, Du, J.
Deposit date:2018-06-24
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic insights into plant SUVH family H3K9 methyltransferases and their binding to context-biased non-CG DNA methylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6AVF
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BU of 6avf by Molmil
Crystal structure of the KFJ5 TCR-NY-ESO-1-HLA-B*07:02 complex
Descriptor: ALA-PRO-ARG-GLY-PRO-HIS-GLY-GLY-ALA-ALA-SER-GLY-LEU, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Gully, B.S, Gras, S, Rossjohn, J.
Deposit date:2017-09-02
Release date:2018-02-28
Last modified:2019-04-17
Method:X-RAY DIFFRACTION (2.028 Å)
Cite:Divergent T-cell receptor recognition modes of a HLA-I restricted extended tumour-associated peptide.
Nat Commun, 9, 2018
6AT6
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BU of 6at6 by Molmil
Crystal structure of the KFJ5 TCR
Descriptor: T-cell receptor alpha variable 4, T-cell receptor, sp3.4 alpha chain chimera, ...
Authors:Gully, B.S, Rossjohn, J.
Deposit date:2017-08-28
Release date:2018-02-28
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.417 Å)
Cite:Divergent T-cell receptor recognition modes of a HLA-I restricted extended tumour-associated peptide.
Nat Commun, 9, 2018
6AVG
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BU of 6avg by Molmil
Crystal structure of the KFJ37 TCR-NY-ESO-1-HLA-B*07:02 complex
Descriptor: ALA-PRO-ARG-GLY-PRO-HIS-GLY-GLY-ALA-ALA-SER-GLY-LEU, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Gully, B.S, Gras, S, Rossjohn, J.
Deposit date:2017-09-02
Release date:2018-02-28
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Divergent T-cell receptor recognition modes of a HLA-I restricted extended tumour-associated peptide.
Nat Commun, 9, 2018
6AT5
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BU of 6at5 by Molmil
Crystal structure of HLA-B*07:02 in complex with an NY-ESO-1 peptide
Descriptor: Beta-2-microglobulin, Cancer/testis antigen 1 peptide, HLA class I histocompatibility antigen, ...
Authors:Gully, B.S, Rossjohn, J.
Deposit date:2017-08-27
Release date:2018-02-28
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Divergent T-cell receptor recognition modes of a HLA-I restricted extended tumour-associated peptide.
Nat Commun, 9, 2018
7LGD
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BU of 7lgd by Molmil
HLA-B*07:02 in complex with SARS-CoV-2 nucleocapsid peptide N105-113
Descriptor: Beta-2-microglobulin, CHLORIDE ION, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Szeto, C, Chatzileontiadou, D.S.M.
Deposit date:2021-01-20
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:CD8 + T cells specific for an immunodominant SARS-CoV-2 nucleocapsid epitope cross-react with selective seasonal coronaviruses.
Immunity, 54, 2021
7LGT
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BU of 7lgt by Molmil
HLA-B*07:02 in complex with 229E-derived coronavirus nucleocapsid peptide N75-83
Descriptor: BROMIDE ION, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Gras, S, Szeto, C, Chatzileontiadou, D.S.M.
Deposit date:2021-01-21
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:CD8 + T cells specific for an immunodominant SARS-CoV-2 nucleocapsid epitope cross-react with selective seasonal coronaviruses.
Immunity, 54, 2021
7C2L
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BU of 7c2l by Molmil
S protein of SARS-CoV-2 in complex bound with 4A8
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, R.H, Zhang, Y.Y, Guo, Y.Y, Li, Y.N, Xia, L, Zhou, Q.
Deposit date:2020-05-08
Release date:2020-07-01
Last modified:2021-02-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:A neutralizing human antibody binds to the N-terminal domain of the Spike protein of SARS-CoV-2.
Science, 369, 2020
6LXH
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BU of 6lxh by Molmil
Staphylococcus aureus surface protein-sdrc
Descriptor: Ser-Asp rich fibrinogen-binding, bone sialoprotein-binding protein
Authors:Pi, Y, Ji, Q.
Deposit date:2020-02-11
Release date:2020-04-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural Basis ofStaphylococcus aureusSurface Protein SdrC.
Biochemistry, 59, 2020
6LXS
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BU of 6lxs by Molmil
CWA protein-SdrC
Descriptor: CALCIUM ION, GLYCEROL, Ser-Asp rich fibrinogen-binding, ...
Authors:Pi, Y, Ji, Q.
Deposit date:2020-02-11
Release date:2020-04-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural Basis ofStaphylococcus aureusSurface Protein SdrC.
Biochemistry, 59, 2020
8HLT
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BU of 8hlt by Molmil
The co-crystal structure of DYRK2 with YK-2-99B
Descriptor: (6-{[(4P)-4-(1,3-benzothiazol-5-yl)-5-fluoropyrimidin-2-yl]amino}pyridin-3-yl)(piperazin-1-yl)methanone, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Shen, H.T, Xiao, Y.B, Yuan, K, Yang, P, Li, Q.N.
Deposit date:2022-12-01
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Potent DYRK2 Inhibitors with High Selectivity, Great Solubility, and Excellent Safety Properties for the Treatment of Prostate Cancer.
J.Med.Chem., 66, 2023
6MT3
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BU of 6mt3 by Molmil
Crystal Structure of HLA-B*18:01 in complex with NP338 influenza peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-18 alpha chain, ...
Authors:Gras, S.
Deposit date:2018-10-19
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Broad CD8+T cell cross-recognition of distinct influenza A strains in humans.
Nat Commun, 9, 2018
6MTL
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BU of 6mtl by Molmil
Crystal Structure of HLA-B*44:05 in complex with NP338 influenza peptide
Descriptor: ACETATE ION, Beta-2-microglobulin, MHC class I antigen, ...
Authors:Gras, S.
Deposit date:2018-10-19
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Broad CD8+T cell cross-recognition of distinct influenza A strains in humans.
Nat Commun, 9, 2018
6MT5
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BU of 6mt5 by Molmil
Crystal Structure of HLA-B*37:01 in complex with NP338-V6L influenza peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-37 alpha chain, ...
Authors:Gras, S.
Deposit date:2018-10-19
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Broad CD8+T cell cross-recognition of distinct influenza A strains in humans.
Nat Commun, 9, 2018
6MT4
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BU of 6mt4 by Molmil
Crystal Structure of HLA-B*37:01 in complex with NP338-L7S influenza peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-37 alpha chain, ...
Authors:Gras, S.
Deposit date:2018-10-19
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Broad CD8+T cell cross-recognition of distinct influenza A strains in humans.
Nat Commun, 9, 2018
6MTM
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BU of 6mtm by Molmil
Crystal Structure of EM2 TCR in complex with HLA-B*37:01-NP338
Descriptor: Beta-2-microglobulin, EM2 TCR alpha chain, EM2 TCR beta chain, ...
Authors:Gras, S.
Deposit date:2018-10-19
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Broad CD8+T cell cross-recognition of distinct influenza A strains in humans.
Nat Commun, 9, 2018

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