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8XR2
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BU of 8xr2 by Molmil
Crystal structure of AKRtyl-apo1
Descriptor: Aldo/keto reductase
Authors:Lin, S, Dai, S, Xiao, Z.
Deposit date:2024-01-06
Release date:2024-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
8D5P
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BU of 8d5p by Molmil
Mouse TCR TG6
Descriptor: TCR-alpha, TCR-beta
Authors:Wang, Y, Dai, S.
Deposit date:2022-06-05
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Peptide Centric V beta Specific Germline Contacts Shape a Specialist T Cell Response.
Front Immunol, 13, 2022
8D5N
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BU of 8d5n by Molmil
Crystal structure of Ld-HF10
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
Authors:Wang, Y, Dai, S.
Deposit date:2022-06-05
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Peptide Centric V beta Specific Germline Contacts Shape a Specialist T Cell Response.
Front Immunol, 13, 2022
8D5Q
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BU of 8d5q by Molmil
TCR TG6 in complex with Ld-HF10
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Dense granule protein 6, HF10 peptide, ...
Authors:Wang, Y, Dai, S.
Deposit date:2022-06-05
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Peptide Centric V beta Specific Germline Contacts Shape a Specialist T Cell Response.
Front Immunol, 13, 2022
6L8L
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BU of 6l8l by Molmil
C-Src in complex with ibrutinib
Descriptor: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, Proto-oncogene tyrosine-protein kinase Src
Authors:Guo, M, Dai, S, Chen, L, Chen, Y.
Deposit date:2019-11-06
Release date:2020-11-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.888 Å)
Cite:Characterization of ibrutinib as a non-covalent inhibitor of SRC-family kinases.
Bioorg.Med.Chem.Lett., 34, 2020
7N19
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BU of 7n19 by Molmil
DR3 in complex with Aspergillus nidulans NAD-dependent histone deacetylase hst4 peptide
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, Y, Dai, S.
Deposit date:2021-05-27
Release date:2021-08-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:CD4+ T cells in the lungs of acute sarcoidosis patients recognize an Aspergillus nidulans epitope.
J.Exp.Med., 218, 2021
6AVS
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BU of 6avs by Molmil
Complex structure of JMJD5 and Symmetric Monomethyl-Arginine (MMA)
Descriptor: (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, Lysine-specific demethylase 8, ZINC ION
Authors:Lee, S, Liu, H, Wang, Y, Dai, S, Zhang, G.
Deposit date:2017-09-04
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Specific Recognition of Arginine Methylated Histone Tails by JMJD5 and JMJD7.
Sci Rep, 8, 2018
6AX3
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BU of 6ax3 by Molmil
Complex structure of JMJD5 and Symmetric Dimethyl-Arginine (SDMA)
Descriptor: 2-OXOGLUTARIC ACID, Lysine-specific demethylase 8, N3, ...
Authors:Lee, S, Liu, H, Wang, Y, Dai, S, Zhang, G.
Deposit date:2017-09-06
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Specific Recognition of Arginine Methylated Histone Tails by JMJD5 and JMJD7.
Sci Rep, 8, 2018
6MBJ
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BU of 6mbj by Molmil
SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, P21 Crystal Form
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Actin Peptide, ...
Authors:Horton, J.R, Dai, S, Cheng, X.
Deposit date:2018-08-30
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:SETD3 is an actin histidine methyltransferase that prevents primary dystocia.
Nature, 565, 2019
6MBK
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BU of 6mbk by Molmil
SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, First P212121 Crystal Form
Descriptor: 1,2-ETHANEDIOL, Actin peptide, GLYCEROL, ...
Authors:Horton, J.R, Dai, S, Cheng, X.
Deposit date:2018-08-30
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:SETD3 is an actin histidine methyltransferase that prevents primary dystocia.
Nature, 565, 2019
6MBL
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BU of 6mbl by Molmil
SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, Second P212121 Crystal Form
Descriptor: 1,2-ETHANEDIOL, Actin Peptide, Histone-lysine N-methyltransferase setd3, ...
Authors:Horton, J.R, Dai, S, Cheng, X.
Deposit date:2018-08-30
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:SETD3 is an actin histidine methyltransferase that prevents primary dystocia.
Nature, 565, 2019
4H1L
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BU of 4h1l by Molmil
TCR interaction with peptide mimics of nickel offers structural insights in nickel contact allergy
Descriptor: Ani2.3 TCR A chain, Ani2.3 TCR B chain, HLA class II histocompatibility antigen, ...
Authors:Kappler, J.W, Yin, L, Dai, S, Marrack, P.
Deposit date:2012-09-10
Release date:2012-11-14
Last modified:2013-09-04
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:T-cell receptor (TCR) interaction with peptides that mimic nickel offers insight into nickel contact allergy.
Proc.Natl.Acad.Sci.USA, 109, 2012
4H26
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BU of 4h26 by Molmil
TCR interaction with peptide mimics of nickel offers structure insight to nickel contact allergy
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:Kappler, J.W, Yin, L, Dai, S, Marrack, P, Crawford, F.
Deposit date:2012-09-12
Release date:2013-10-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:T-cell receptor (TCR) interaction with peptides that mimic nickel offers insight into nickel contact allergy.
Proc.Natl.Acad.Sci.USA, 109, 2012
4H25
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BU of 4h25 by Molmil
TCR interaction with peptide mimics of nickel offers structure insights to nickel contact allergy
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:Kappler, J.W, Yin, L, Dai, S, Marrack, P, Crawford, F.
Deposit date:2012-09-12
Release date:2013-10-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:T-cell receptor (TCR) interaction with peptides that mimic nickel offers insight into nickel contact allergy.
Proc.Natl.Acad.Sci.USA, 109, 2012
5W1L
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BU of 5w1l by Molmil
Echinococcus granulosus thioredoxin glutathione reductas (egTGR) with Gold
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GOLD ION, Thioredoxin glutathione reductase
Authors:Gao, W, Wang, Y, Dai, S.
Deposit date:2017-06-03
Release date:2017-11-22
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:The Enzymatic and Structural Basis for Inhibition of Echinococcus granulosus Thioredoxin Glutathione Reductase by Gold(I).
Antioxid. Redox Signal., 27, 2017
1KT2
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BU of 1kt2 by Molmil
CRYSTAL STRUCTURE OF CLASS II MHC MOLECULE IEK BOUND TO MOTH CYTOCHROME C PEPTIDE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion protein consisting of cytochrome C peptide, ...
Authors:Fremont, D.H, Dai, S, Chiang, H, Crawford, F, Marrack, P, Kappler, J.
Deposit date:2002-01-15
Release date:2002-05-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of cytochrome c presentation by IE(k).
J.Exp.Med., 195, 2002
1KTD
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BU of 1ktd by Molmil
CRYSTAL STRUCTURE OF CLASS II MHC MOLECULE IEK BOUND TO PIGEON CYTOCHROME C PEPTIDE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion protein consisting of cytochrome C peptide, glycine rich linker, ...
Authors:Fremont, D.H, Dai, S, Chiang, H, Crawford, F, Marrack, P, Kappler, J.
Deposit date:2002-01-15
Release date:2002-05-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of cytochrome c presentation by IE(k).
J.Exp.Med., 195, 2002
5UJT
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BU of 5ujt by Molmil
Crystal structure of human HLA-DQ8 in complex with insulin mimotope binding in register 3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DQ-beta-1, ...
Authors:Wang, Y, Dai, S.
Deposit date:2017-01-18
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:C-terminal modification of the insulin B:11-23 peptide creates superagonists in mouse and human type 1 diabetes.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
1LNU
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BU of 1lnu by Molmil
CRYSTAL STRUCTURE OF CLASS II MHC MOLECULE IAb BOUND TO EALPHA3K PEPTIDE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, H-2 class II histocompatibility antigen, A beta chain, ...
Authors:Liu, X, Dai, S, Crawford, F, Fruge, R, Marrack, P, Kappler, J.
Deposit date:2002-05-03
Release date:2002-08-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Alternate interactions define the binding of peptides to the MHC molecule IA(b).
Proc.Natl.Acad.Sci.USA, 99, 2002
5W1J
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BU of 5w1j by Molmil
Echinococcus granulosus thioredoxin glutathione reductas (egTGR)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase
Authors:Gao, W, Wang, Y, Dai, S.
Deposit date:2017-06-03
Release date:2017-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Enzymatic and Structural Basis for Inhibition of Echinococcus granulosus Thioredoxin Glutathione Reductase by Gold(I).
Antioxid. Redox Signal., 27, 2017
6AKP
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BU of 6akp by Molmil
Crystal Structural of FOXC2 DNA binding domain bound to PC promoter
Descriptor: DNA (5'-D(AP*CP*AP*CP*AP*AP*AP*TP*AP*TP*TP*TP*GP*TP*GP*T)-3'), Forkhead box protein C2, MAGNESIUM ION
Authors:Chen, X, Wei, H, Li, J, Liang, X, Dai, S, Jiang, L, Guo, M, Chen, Y.
Deposit date:2018-09-03
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.323 Å)
Cite:Structural basis for DNA recognition by FOXC2.
Nucleic Acids Res., 47, 2019
6BLQ
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BU of 6blq by Molmil
Crystal Structure of IAg7 in complex with insulin mimotope p8E9E
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, Y, Dai, S.
Deposit date:2017-11-11
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:C-terminal modification of the insulin B:11-23 peptide creates superagonists in mouse and human type 1 diabetes.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8JWN
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BU of 8jwn by Molmil
Crystal structure of AKRtyl-NADPH complex
Descriptor: Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Lin, S, Dai, S, Xiao, Z.
Deposit date:2023-06-29
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
4P5K
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BU of 4p5k by Molmil
Structural Basis of Chronic Beryllium Disease: Bridging the Gap Between Allergy and Autoimmunity
Descriptor: HLA class II histocompatibility antigen, DP alpha 1 chain, RAS peptide,HLA class II histocompatibility antigen, ...
Authors:Clayton, G.M, Wang, Y, Crawford, F, Novikov, A, Wimberly, B.T, Kieft, J.S, Falta, M.T, Bowerman, N.A, Marrack, P, Fontenot, A.P, Dai, S, Kappler, J.W.
Deposit date:2014-03-17
Release date:2015-01-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity.
Cell, 158, 2014
4P5M
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BU of 4p5m by Molmil
Structural Basis of Chronic Beryllium Disease: Bridging the Gap Between Allergic Hypersensitivity and Autoimmunity
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)][2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, Y, Dai, S, Kappler, J.
Deposit date:2014-03-18
Release date:2014-08-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity.
Cell, 158, 2014

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